N-methyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide

C18H28N4O2 — CID 56891064

IUPACN-methyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide
SMILESCN(CC1(N2CCCCC2)CCCCC1)C(=O)c1cnc[nH]c1=O
InChIInChI=1S/C18H28N4O2/c1-21(17(24)15-12-19-14-20-16(15)23)13-18(8-4-2-5-9-18)22-10-6-3-7-11-22/h12,14H,2-11,13H2,1H3,(H,19,20,23)
InChIKeyGHJJPTDTLUMHSR-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.03
Rot. Bonds4

About N-methyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide

N-methyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide (PubChem CID 56891064) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-methyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide
PubChem CID56891064
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-methyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide
SMILESCN(CC1(N2CCCCC2)CCCCC1)C(=O)c1cnc[nH]c1=O
InChIInChI=1S/C18H28N4O2/c1-21(17(24)15-12-19-14-20-16(15)23)13-18(8-4-2-5-9-18)22-10-6-3-7-11-22/h12,14H,2-11,13H2,1H3,(H,19,20,23)
InChIKeyGHJJPTDTLUMHSR-UHFFFAOYSA-N
XLogP2.03
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-(1-(L-alanyl)piperidin-4-yl)ethyl)-4-hydroxypyrimidine-5-carboxamide
CID 132227790
2-tert-butyl-4-hydroxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrimidine-5-carboxamide
CID 70738324
N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 146193144
2-methyl-5-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46974714
N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-3-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 56710793
2-cyclopropyl-N-methyl-6-oxo-N-{[1-(1-piperidinyl)cyclohexyl]methyl}-1,6-dihydro-5-pyrimidinecarboxamide
CID 56884318
N-methyl-2,4-dioxo-N-{[1-(1-piperidinyl)cyclohexyl]methyl}-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide
CID 56896504
5-{[4-(1-adamantyl)-1-piperazinyl]carbonyl}-4(3H)-pyrimidinone
CID 56910801
N,2-dimethyl-6-oxo-N-{[1-(1-piperidinyl)cyclohexyl]methyl}-1,6-dihydro-5-pyrimidinecarboxamide
CID 70709563
N-methyl-7-oxo-N-{[1-(1-piperidinyl)cyclohexyl]methyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 70772271
1-Methyl-4-[(6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-1,4,9-triazaspiro[5.6]dodecan-10-one
CID 72866658
(6S)-1-methyl-4-(6-oxo-1H-pyrimidine-5-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97122087

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-methyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide (CID 56891064) is N-methyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-methyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-methyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide is CN(CC1(N2CCCCC2)CCCCC1)C(=O)c1cnc[nH]c1=O.
What is the InChIKey of N-methyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide?
The InChIKey is GHJJPTDTLUMHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-21(17(24)15-12-19-14-20-16(15)23)13-18(8-4-2-5-9-18)22-10-6-3-7-11-22/h12,14H,2-11,13H2,1H3,(H,19,20,23).
What are the key properties of N-methyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide?
N-methyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 56891064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).