1-acetyl-N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]piperidine-4-carboxamide

C17H26N6O3 — CID 136663620

IUPAC1-acetyl-N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NC2CCN(c3cc(=O)[nH]c(N)n3)CC2)CC1
InChIInChI=1S/C17H26N6O3/c1-11(24)22-6-2-12(3-7-22)16(26)19-13-4-8-23(9-5-13)14-10-15(25)21-17(18)20-14/h10,12-13H,2-9H2,1H3,(H,19,26)(H3,18,20,21,25)
InChIKeyDJXAIIILZVELRD-UHFFFAOYSA-N
MW362.43 g/mol
LogP-0.30
Rot. Bonds3

About 1-acetyl-N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]piperidine-4-carboxamide

1-acetyl-N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]piperidine-4-carboxamide (PubChem CID 136663620) has the molecular formula C17H26N6O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-acetyl-N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]piperidine-4-carboxamide
PubChem CID136663620
Molecular FormulaC17H26N6O3
Molecular Weight362.43 g/mol
Exact Mass362.21
IUPAC Name1-acetyl-N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NC2CCN(c3cc(=O)[nH]c(N)n3)CC2)CC1
InChIInChI=1S/C17H26N6O3/c1-11(24)22-6-2-12(3-7-22)16(26)19-13-4-8-23(9-5-13)14-10-15(25)21-17(18)20-14/h10,12-13H,2-9H2,1H3,(H,19,26)(H3,18,20,21,25)
InChIKeyDJXAIIILZVELRD-UHFFFAOYSA-N
XLogP-0.30
TPSA124.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-acetyl-N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]piperidine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-amino-6-{4-[(1-isopropyl-4-piperidinyl)acetyl]-1-piperazinyl}-4(3H)-pyrimidinone
CID 136226567
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
CID 46381316
5-methyl-2-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 132312837
2-amino-6-{4-[(1-isopropyl-3-piperidinyl)carbonyl]-1-piperazinyl}-4(3H)-pyrimidinone
CID 136217079
2-amino-6-{4-[(1-isopropyl-4-piperidinyl)carbonyl]-1-piperazinyl}-4(3H)-pyrimidinone
CID 136231800
2-methyl-4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136557609
4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136557612
2-amino-6-{4-[(1-methylpiperidin-3-yl)carbonyl]piperazin-1-yl}pyrimidin-4(3H)-one
CID 136662369
2-amino-6-(4-D-valylpiperazin-1-yl)pyrimidin-4(3H)-one
CID 136663811
2-amino-4-[4-[(3S)-1-propan-2-ylpiperidine-3-carbonyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 136831955
2-amino-4-[4-[(3R)-1-propan-2-ylpiperidine-3-carbonyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 136831956
1-acetyl-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide
CID 136834832

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]piperidine-4-carboxamide (CID 136663620) is 1-acetyl-N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)NC2CCN(c3cc(=O)[nH]c(N)n3)CC2)CC1.
What is the InChIKey of 1-acetyl-N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]piperidine-4-carboxamide?
The InChIKey is DJXAIIILZVELRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O3/c1-11(24)22-6-2-12(3-7-22)16(26)19-13-4-8-23(9-5-13)14-10-15(25)21-17(18)20-14/h10,12-13H,2-9H2,1H3,(H,19,26)(H3,18,20,21,25).
What are the key properties of 1-acetyl-N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]piperidine-4-carboxamide?
1-acetyl-N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]piperidine-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of -0.30, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 136663620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).