(3R)-N,N-dimethyl-3-[4-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carbonyl]piperidine-1-carboxamide

C18H27N5O3 — CID 136736985

IUPAC(3R)-N,N-dimethyl-3-[4-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carbonyl]piperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC[C@@H](C(=O)N2CCC(c3cc(=O)[nH]cn3)CC2)C1
InChIInChI=1S/C18H27N5O3/c1-21(2)18(26)23-7-3-4-14(11-23)17(25)22-8-5-13(6-9-22)15-10-16(24)20-12-19-15/h10,12-14H,3-9,11H2,1-2H3,(H,19,20,24)/t14-/m1/s1
InChIKeyZLHJUTLTWPTHSV-CQSZACIVSA-N
MW361.45 g/mol
LogP0.87
Rot. Bonds2

About (3R)-N,N-dimethyl-3-[4-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carbonyl]piperidine-1-carboxamide

(3R)-N,N-dimethyl-3-[4-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carbonyl]piperidine-1-carboxamide (PubChem CID 136736985) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is (3R)-N,N-dimethyl-3-[4-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carbonyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N,N-dimethyl-3-[4-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carbonyl]piperidine-1-carboxamide
PubChem CID136736985
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC Name(3R)-N,N-dimethyl-3-[4-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carbonyl]piperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC[C@@H](C(=O)N2CCC(c3cc(=O)[nH]cn3)CC2)C1
InChIInChI=1S/C18H27N5O3/c1-21(2)18(26)23-7-3-4-14(11-23)17(25)22-8-5-13(6-9-22)15-10-16(24)20-12-19-15/h10,12-14H,3-9,11H2,1-2H3,(H,19,20,24)/t14-/m1/s1
InChIKeyZLHJUTLTWPTHSV-CQSZACIVSA-N
XLogP0.87
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N,N-dimethyl-3-[4-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carbonyl]piperidine-1-carboxamide with MolForge

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Related Compounds

3-(azepane-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide
CID 60756295
(3S)-N,N-dimethyl-3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidine-1-carboxamide
CID 94162861
N,N-dimethyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]piperidine-1-carboxamide
CID 72874750
4-[1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 135898022
N-(2-cyclooctylethyl)-3-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide
CID 137150709
(3S)-3-[4-[(6-chloro-3-pyridinyl)methyl]piperazine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
CID 97201196
(3R)-N,N-dimethyl-3-(4-pyridin-3-ylpiperazine-1-carbonyl)piperidine-1-carboxamide
CID 97191479
4-[1-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136967921
3-(3-hydroxy-3-methylpiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide
CID 115874663
4-[(3S)-1-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136801295
4-[3-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]-1H-pyrimidin-6-one
CID 136662274
4-[1-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 135882181

Frequently Asked Questions

What is the IUPAC name of (3R)-N,N-dimethyl-3-[4-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carbonyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-N,N-dimethyl-3-[4-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carbonyl]piperidine-1-carboxamide (CID 136736985) is (3R)-N,N-dimethyl-3-[4-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carbonyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N,N-dimethyl-3-[4-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carbonyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-N,N-dimethyl-3-[4-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carbonyl]piperidine-1-carboxamide is CN(C)C(=O)N1CCC[C@@H](C(=O)N2CCC(c3cc(=O)[nH]cn3)CC2)C1.
What is the InChIKey of (3R)-N,N-dimethyl-3-[4-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carbonyl]piperidine-1-carboxamide?
The InChIKey is ZLHJUTLTWPTHSV-CQSZACIVSA-N. The full InChI is InChI=1S/C18H27N5O3/c1-21(2)18(26)23-7-3-4-14(11-23)17(25)22-8-5-13(6-9-22)15-10-16(24)20-12-19-15/h10,12-14H,3-9,11H2,1-2H3,(H,19,20,24)/t14-/m1/s1.
What are the key properties of (3R)-N,N-dimethyl-3-[4-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carbonyl]piperidine-1-carboxamide?
(3R)-N,N-dimethyl-3-[4-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carbonyl]piperidine-1-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N-dimethyl-3-[4-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carbonyl]piperidine-1-carboxamide is sourced from PubChem (CID 136736985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).