(2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-4-[(2R)-2-(1,2-dihydropyrimidin-2-yl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide

C25H32N6O4 — CID 143479040

IUPAC(2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-4-[(2R)-2-(1,2-dihydropyrimidin-2-yl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide
SMILESN#Cc1ccccc1N1CCC(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2C2N=CC=CN2)CC1
InChIInChI=1S/C25H32N6O4/c26-15-18-5-1-2-6-19(18)30-13-8-17(9-14-30)16-29-24(34)21(32)22(33)25(35)31-12-3-7-20(31)23-27-10-4-11-28-23/h1-2,4-6,10-11,17,20-23,27,32-33H,3,7-9,12-14,16H2,(H,29,34)/t20-,21-,22-,23?/m1/s1
InChIKeyDIVYPYFRNVSAGF-YRNFEDNZSA-N
MW480.57 g/mol
LogP0.12
Rot. Bonds7

About (2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-4-[(2R)-2-(1,2-dihydropyrimidin-2-yl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide

(2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-4-[(2R)-2-(1,2-dihydropyrimidin-2-yl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide (PubChem CID 143479040) has the molecular formula C25H32N6O4 and a molecular weight of 480.57 g/mol. Its IUPAC name is (2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-4-[(2R)-2-(1,2-dihydropyrimidin-2-yl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide.

Molecular Properties

Compound Name(2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-4-[(2R)-2-(1,2-dihydropyrimidin-2-yl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide
PubChem CID143479040
Molecular FormulaC25H32N6O4
Molecular Weight480.57 g/mol
Exact Mass480.25
IUPAC Name(2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-4-[(2R)-2-(1,2-dihydropyrimidin-2-yl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide
SMILESN#Cc1ccccc1N1CCC(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2C2N=CC=CN2)CC1
InChIInChI=1S/C25H32N6O4/c26-15-18-5-1-2-6-19(18)30-13-8-17(9-14-30)16-29-24(34)21(32)22(33)25(35)31-12-3-7-20(31)23-27-10-4-11-28-23/h1-2,4-6,10-11,17,20-23,27,32-33H,3,7-9,12-14,16H2,(H,29,34)/t20-,21-,22-,23?/m1/s1
InChIKeyDIVYPYFRNVSAGF-YRNFEDNZSA-N
XLogP0.12
TPSA141.29 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 50.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze (2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-4-[(2R)-2-(1,2-dihydropyrimidin-2-yl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide with MolForge

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Related Compounds

N-[[1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-[(2S)-2-phenylpyrrolidin-1-yl]butanamide
CID 58923074
(2R,3R)-N-[[1-(2-aminophenyl)piperidin-4-yl]methyl]-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide
CID 70329349
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2,2-diphenylacetamide
CID 121108971
(2R,3R)-N-[[1-(2-amino-3-pyridinyl)piperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide
CID 70329597
(2S)-N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2-phenoxypropanamide
CID 95378636
(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-4-hydrazinyl-2,3-dihydroxy-4-methyliminobutanamide
CID 143154102
N-[[1-(5-bromo-2-cyanophenyl)piperidin-4-yl]methyl]acetamide
CID 102736286
2-[4-(methoxymethyl)piperidin-1-yl]benzonitrile
CID 23293075
(2R,3R)-N-[[4-(3-cyano-4-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide
CID 54581565
2-(4-acetylpiperazin-1-yl)benzonitrile;ethane
CID 143432462
(3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-[3-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]methyl]butanamide
CID 70330579
(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyano-5-fluorophenyl)piperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[1-(4-cyano-3-fluorophenyl)piperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyanophenyl)-4-ethylpiperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[[1-(4-fluoro-2-methoxyphenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide
CID 161397178

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-4-[(2R)-2-(1,2-dihydropyrimidin-2-yl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide?
The IUPAC name of (2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-4-[(2R)-2-(1,2-dihydropyrimidin-2-yl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide (CID 143479040) is (2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-4-[(2R)-2-(1,2-dihydropyrimidin-2-yl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide.
What is the SMILES notation for (2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-4-[(2R)-2-(1,2-dihydropyrimidin-2-yl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide?
The canonical SMILES for (2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-4-[(2R)-2-(1,2-dihydropyrimidin-2-yl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide is N#Cc1ccccc1N1CCC(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2C2N=CC=CN2)CC1.
What is the InChIKey of (2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-4-[(2R)-2-(1,2-dihydropyrimidin-2-yl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide?
The InChIKey is DIVYPYFRNVSAGF-YRNFEDNZSA-N. The full InChI is InChI=1S/C25H32N6O4/c26-15-18-5-1-2-6-19(18)30-13-8-17(9-14-30)16-29-24(34)21(32)22(33)25(35)31-12-3-7-20(31)23-27-10-4-11-28-23/h1-2,4-6,10-11,17,20-23,27,32-33H,3,7-9,12-14,16H2,(H,29,34)/t20-,21-,22-,23?/m1/s1.
What are the key properties of (2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-4-[(2R)-2-(1,2-dihydropyrimidin-2-yl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide?
(2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-4-[(2R)-2-(1,2-dihydropyrimidin-2-yl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide has a molecular weight of 480.57 g/mol, XLogP of 0.12, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-4-[(2R)-2-(1,2-dihydropyrimidin-2-yl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxobutanamide is sourced from PubChem (CID 143479040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).