(3R)-N-[(2R)-4-(3,4-difluorophenyl)butan-2-yl]-3-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide

C18H26F2N2O2 — CID 98852154

IUPAC(3R)-N-[(2R)-4-(3,4-difluorophenyl)butan-2-yl]-3-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide
SMILESC[C@H](CCc1ccc(F)c(F)c1)NC(=O)N1CCC[C@@H]([C@H](C)O)C1
InChIInChI=1S/C18H26F2N2O2/c1-12(5-6-14-7-8-16(19)17(20)10-14)21-18(24)22-9-3-4-15(11-22)13(2)23/h7-8,10,12-13,15,23H,3-6,9,11H2,1-2H3,(H,21,24)/t12-,13+,15-/m1/s1
InChIKeyOTPYNSBTVPOWOO-VNHYZAJKSA-N
MW340.41 g/mol
LogP3.09
Rot. Bonds5

About (3R)-N-[(2R)-4-(3,4-difluorophenyl)butan-2-yl]-3-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide

(3R)-N-[(2R)-4-(3,4-difluorophenyl)butan-2-yl]-3-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide (PubChem CID 98852154) has the molecular formula C18H26F2N2O2 and a molecular weight of 340.41 g/mol. Its IUPAC name is (3R)-N-[(2R)-4-(3,4-difluorophenyl)butan-2-yl]-3-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2R)-4-(3,4-difluorophenyl)butan-2-yl]-3-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide
PubChem CID98852154
Molecular FormulaC18H26F2N2O2
Molecular Weight340.41 g/mol
Exact Mass340.20
IUPAC Name(3R)-N-[(2R)-4-(3,4-difluorophenyl)butan-2-yl]-3-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide
SMILESC[C@H](CCc1ccc(F)c(F)c1)NC(=O)N1CCC[C@@H]([C@H](C)O)C1
InChIInChI=1S/C18H26F2N2O2/c1-12(5-6-14-7-8-16(19)17(20)10-14)21-18(24)22-9-3-4-15(11-22)13(2)23/h7-8,10,12-13,15,23H,3-6,9,11H2,1-2H3,(H,21,24)/t12-,13+,15-/m1/s1
InChIKeyOTPYNSBTVPOWOO-VNHYZAJKSA-N
XLogP3.09
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R)-N-[(2R)-4-(3,4-difluorophenyl)butan-2-yl]-3-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide with MolForge

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Related Compounds

N-[4-(3,4-difluorophenyl)butan-2-yl]-3-[(dimethylamino)methyl]pyrrolidine-1-carboxamide
CID 91661432
N-[4-(3-fluorophenyl)butan-2-yl]-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide
CID 86788751
1-[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-2-(3,4-difluorophenyl)ethanone
CID 124517338
(3R)-N-[2-(3,5-dichlorophenyl)ethyl]-3-[(1R)-1-hydroxyethyl]piperidine-1-carboxamide
CID 97238094
(2R)-N-[(2R)-4-(3,4-difluorophenyl)butan-2-yl]pyrrolidine-2-carboxamide
CID 100642737
1-[3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 56870699
N-(2-cyclobutyl-1-phenylethyl)-3-(1-hydroxyethyl)piperidine-1-carboxamide
CID 110012928
2-[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-N-propan-2-ylacetamide
CID 95727386
2-[(3R)-3-[(1R)-1-hydroxyethyl]pyrrolidin-1-yl]-2-oxo-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 124878067
N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide
CID 86788732
N-[2-(4-chlorophenyl)sulfanylethyl]-3-(1-hydroxyethyl)piperidine-1-carboxamide
CID 75386473
1-[3-(1-aminoethyl)piperidin-1-yl]-3-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 119593343

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2R)-4-(3,4-difluorophenyl)butan-2-yl]-3-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-N-[(2R)-4-(3,4-difluorophenyl)butan-2-yl]-3-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide (CID 98852154) is (3R)-N-[(2R)-4-(3,4-difluorophenyl)butan-2-yl]-3-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[(2R)-4-(3,4-difluorophenyl)butan-2-yl]-3-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[(2R)-4-(3,4-difluorophenyl)butan-2-yl]-3-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide is C[C@H](CCc1ccc(F)c(F)c1)NC(=O)N1CCC[C@@H]([C@H](C)O)C1.
What is the InChIKey of (3R)-N-[(2R)-4-(3,4-difluorophenyl)butan-2-yl]-3-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide?
The InChIKey is OTPYNSBTVPOWOO-VNHYZAJKSA-N. The full InChI is InChI=1S/C18H26F2N2O2/c1-12(5-6-14-7-8-16(19)17(20)10-14)21-18(24)22-9-3-4-15(11-22)13(2)23/h7-8,10,12-13,15,23H,3-6,9,11H2,1-2H3,(H,21,24)/t12-,13+,15-/m1/s1.
What are the key properties of (3R)-N-[(2R)-4-(3,4-difluorophenyl)butan-2-yl]-3-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide?
(3R)-N-[(2R)-4-(3,4-difluorophenyl)butan-2-yl]-3-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide has a molecular weight of 340.41 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2R)-4-(3,4-difluorophenyl)butan-2-yl]-3-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide is sourced from PubChem (CID 98852154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).