(3S)-1-ethyl-3-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]piperidine-3-carboxamide

C14H22N4O2 — CID 135889772

IUPAC(3S)-1-ethyl-3-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]piperidine-3-carboxamide
SMILESCCN1CCC[C@](C)(C(=O)NCc2cc(=O)[nH]cn2)C1
InChIInChI=1S/C14H22N4O2/c1-3-18-6-4-5-14(2,9-18)13(20)15-8-11-7-12(19)17-10-16-11/h7,10H,3-6,8-9H2,1-2H3,(H,15,20)(H,16,17,19)/t14-/m0/s1
InChIKeyGUGIGNPAYVOXKM-AWEZNQCLSA-N
MW278.36 g/mol
LogP0.51
Rot. Bonds4

About (3S)-1-ethyl-3-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]piperidine-3-carboxamide

(3S)-1-ethyl-3-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]piperidine-3-carboxamide (PubChem CID 135889772) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is (3S)-1-ethyl-3-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-ethyl-3-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]piperidine-3-carboxamide
PubChem CID135889772
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name(3S)-1-ethyl-3-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]piperidine-3-carboxamide
SMILESCCN1CCC[C@](C)(C(=O)NCc2cc(=O)[nH]cn2)C1
InChIInChI=1S/C14H22N4O2/c1-3-18-6-4-5-14(2,9-18)13(20)15-8-11-7-12(19)17-10-16-11/h7,10H,3-6,8-9H2,1-2H3,(H,15,20)(H,16,17,19)/t14-/m0/s1
InChIKeyGUGIGNPAYVOXKM-AWEZNQCLSA-N
XLogP0.51
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-1-ethyl-3-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

N-[(6-hydroxy-4-pyrimidinyl)methyl]-2-(1-isopropyl-4-piperidinyl)acetamide
CID 136217050
N-[(6-hydroxy-4-pyrimidinyl)methyl]-2-(1-propyl-4-piperidinyl)acetamide
CID 136217117
1-cyclopentyl-N-[(6-hydroxy-2-methyl-4-pyrimidinyl)methyl]-3-piperidinecarboxamide
CID 136216795
(5R)-7,7-difluoro-2-methyl-9-(6-oxo-1H-pyrimidine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 137209809
(5S)-7,7-difluoro-2-methyl-9-(6-oxo-1H-pyrimidine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 137209810
7,7-difluoro-2-methyl-9-(6-oxo-1H-pyrimidine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 137212875
N-[3-(dimethylamino)propyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide
CID 12339737
6-Methyl-3-(piperidin-3-ylmethyl)pyrimidin-4-one
CID 61678411
6-Methyl-3-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-4-one
CID 62544549
1-ethyl-3-methyl-N-[(6-oxo-1,6-dihydropyrimidin-4-yl)methyl]piperidine-3-carboxamide
CID 135859855
(3R)-1-ethyl-3-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]piperidine-3-carboxamide
CID 135889771
1-cyclohexyl-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]piperidine-3-carboxamide
CID 136037667

Frequently Asked Questions

What is the IUPAC name of (3S)-1-ethyl-3-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-ethyl-3-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]piperidine-3-carboxamide (CID 135889772) is (3S)-1-ethyl-3-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-ethyl-3-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-ethyl-3-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]piperidine-3-carboxamide is CCN1CCC[C@](C)(C(=O)NCc2cc(=O)[nH]cn2)C1.
What is the InChIKey of (3S)-1-ethyl-3-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]piperidine-3-carboxamide?
The InChIKey is GUGIGNPAYVOXKM-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-18-6-4-5-14(2,9-18)13(20)15-8-11-7-12(19)17-10-16-11/h7,10H,3-6,8-9H2,1-2H3,(H,15,20)(H,16,17,19)/t14-/m0/s1.
What are the key properties of (3S)-1-ethyl-3-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]piperidine-3-carboxamide?
(3S)-1-ethyl-3-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]piperidine-3-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-ethyl-3-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 135889772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).