N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide

C22H34N4O3 — CID 72848069

IUPACN-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)N(CC2CCN(C3CCCC3)CC2)CC2CCCO2)c(=O)[nH]1
InChIInChI=1S/C22H34N4O3/c1-16-23-13-20(21(27)24-16)22(28)26(15-19-7-4-12-29-19)14-17-8-10-25(11-9-17)18-5-2-3-6-18/h13,17-19H,2-12,14-15H2,1H3,(H,23,24,27)
InChIKeyYPPKWJWTRDPCAB-UHFFFAOYSA-N
MW402.54 g/mol
LogP2.35
Rot. Bonds6

About N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide

N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide (PubChem CID 72848069) has the molecular formula C22H34N4O3 and a molecular weight of 402.54 g/mol. Its IUPAC name is N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide
PubChem CID72848069
Molecular FormulaC22H34N4O3
Molecular Weight402.54 g/mol
Exact Mass402.26
IUPAC NameN-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)N(CC2CCN(C3CCCC3)CC2)CC2CCCO2)c(=O)[nH]1
InChIInChI=1S/C22H34N4O3/c1-16-23-13-20(21(27)24-16)22(28)26(15-19-7-4-12-29-19)14-17-8-10-25(11-9-17)18-5-2-3-6-18/h13,17-19H,2-12,14-15H2,1H3,(H,23,24,27)
InChIKeyYPPKWJWTRDPCAB-UHFFFAOYSA-N
XLogP2.35
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide with MolForge

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Related Compounds

N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrrole-3-carboxamide
CID 97272542
N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazole-4-carboxamide
CID 97268592
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]furan-3-carboxamide
CID 42094625
N-[(1-cyclopentylpiperidin-4-yl)methyl]-6-methyl-4-oxo-N-(oxolan-2-ylmethyl)pyran-2-carboxamide
CID 72889792
N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-(1-methylcyclopropyl)-N-(oxolan-2-ylmethyl)propanamide
CID 45195710
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-4-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 42595629
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-3-pyridin-2-ylpropanamide
CID 42292205
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(oxolan-2-ylmethyl)-3-pyridin-2-ylpropanamide
CID 45185082
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-methyl-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide
CID 28956359
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-thiophen-3-ylacetamide
CID 42463207
N-(cyclobutylmethyl)-4-oxo-N-(oxolan-2-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 50974846
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-6-oxo-N-(oxolan-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 45207717

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide (CID 72848069) is N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide is Cc1ncc(C(=O)N(CC2CCN(C3CCCC3)CC2)CC2CCCO2)c(=O)[nH]1.
What is the InChIKey of N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide?
The InChIKey is YPPKWJWTRDPCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O3/c1-16-23-13-20(21(27)24-16)22(28)26(15-19-7-4-12-29-19)14-17-8-10-25(11-9-17)18-5-2-3-6-18/h13,17-19H,2-12,14-15H2,1H3,(H,23,24,27).
What are the key properties of N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide?
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide has a molecular weight of 402.54 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 72848069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).