N-[(3R)-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-2-pyrrolidin-1-ylacetamide

C17H27N5O2 — CID 136759860

IUPACN-[(3R)-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-2-pyrrolidin-1-ylacetamide
SMILESCc1nc(N2CCC[C@@H](NC(=O)CN3CCCC3)C2)[nH]c(=O)c1C
InChIInChI=1S/C17H27N5O2/c1-12-13(2)18-17(20-16(12)24)22-9-5-6-14(10-22)19-15(23)11-21-7-3-4-8-21/h14H,3-11H2,1-2H3,(H,19,23)(H,18,20,24)/t14-/m1/s1
InChIKeyALFSPRCELYPNGJ-CQSZACIVSA-N
MW333.44 g/mol
LogP0.57
Rot. Bonds4

About N-[(3R)-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-2-pyrrolidin-1-ylacetamide

N-[(3R)-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-2-pyrrolidin-1-ylacetamide (PubChem CID 136759860) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-[(3R)-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(3R)-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-2-pyrrolidin-1-ylacetamide
PubChem CID136759860
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC NameN-[(3R)-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-2-pyrrolidin-1-ylacetamide
SMILESCc1nc(N2CCC[C@@H](NC(=O)CN3CCCC3)C2)[nH]c(=O)c1C
InChIInChI=1S/C17H27N5O2/c1-12-13(2)18-17(20-16(12)24)22-9-5-6-14(10-22)19-15(23)11-21-7-3-4-8-21/h14H,3-11H2,1-2H3,(H,19,23)(H,18,20,24)/t14-/m1/s1
InChIKeyALFSPRCELYPNGJ-CQSZACIVSA-N
XLogP0.57
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3R)-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-2-pyrrolidin-1-ylacetamide with MolForge

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Related Compounds

1-[2-(2-Ethylpiperidin-1-yl)-2-oxoethyl]-6,7-dimethyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one
CID 53193236
2-(dimethylamino)-7-D-prolyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136164906
1-cyclohexyl-3-(2-(4,5-dimethyl-6-oxopyrimidin-1(6H)-yl)ethyl)urea
CID 71795201
N-cyclopropyl-2-[4-(5-ethyl-4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)piperazino]acetamide
CID 135515955
N-cyclohexyl-2-[4-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)amino]piperidin-1-yl]acetamide
CID 135674466
4,5-dimethyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 135674584
6-(2-Oxo-2-piperidin-1-ylethyl)-2-pyrrolidin-1-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136083577
N-cyclohexyl-2-(4-oxo-2-pyrrolidin-1-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide
CID 136143907
6-[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl]-2-pyrrolidin-1-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136253575
6-[2-(2-Methylpiperidin-1-yl)-2-oxoethyl]-2-pyrrolidin-1-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136263302
N-cyclopentyl-2-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]acetamide
CID 136761451
5-ethyl-4-methyl-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 136761455

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[(3R)-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-2-pyrrolidin-1-ylacetamide (CID 136759860) is N-[(3R)-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[(3R)-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[(3R)-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-2-pyrrolidin-1-ylacetamide is Cc1nc(N2CCC[C@@H](NC(=O)CN3CCCC3)C2)[nH]c(=O)c1C.
What is the InChIKey of N-[(3R)-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is ALFSPRCELYPNGJ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-12-13(2)18-17(20-16(12)24)22-9-5-6-14(10-22)19-15(23)11-21-7-3-4-8-21/h14H,3-11H2,1-2H3,(H,19,23)(H,18,20,24)/t14-/m1/s1.
What are the key properties of N-[(3R)-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-2-pyrrolidin-1-ylacetamide?
N-[(3R)-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 333.44 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 136759860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).