N-(2-cyclooctylethyl)-3-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide

C20H32N4O2 — CID 137150709

IUPACN-(2-cyclooctylethyl)-3-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide
SMILESO=C(NCCC1CCCCCCC1)N1CCCC(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C20H32N4O2/c25-19-13-18(22-15-23-19)17-9-6-12-24(14-17)20(26)21-11-10-16-7-4-2-1-3-5-8-16/h13,15-17H,1-12,14H2,(H,21,26)(H,22,23,25)
InChIKeyNABFLKYRBQOIBM-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.41
Rot. Bonds4

About N-(2-cyclooctylethyl)-3-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide

N-(2-cyclooctylethyl)-3-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide (PubChem CID 137150709) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-(2-cyclooctylethyl)-3-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyclooctylethyl)-3-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide
PubChem CID137150709
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC NameN-(2-cyclooctylethyl)-3-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide
SMILESO=C(NCCC1CCCCCCC1)N1CCCC(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C20H32N4O2/c25-19-13-18(22-15-23-19)17-9-6-12-24(14-17)20(26)21-11-10-16-7-4-2-1-3-5-8-16/h13,15-17H,1-12,14H2,(H,21,26)(H,22,23,25)
InChIKeyNABFLKYRBQOIBM-UHFFFAOYSA-N
XLogP3.41
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide
CID 137027866
(3R)-3-(6-oxo-1H-pyrimidin-4-yl)-N-[3-(4-propan-2-ylphenyl)propyl]piperidine-1-carboxamide
CID 137043793
3-(6-oxo-1H-pyrimidin-4-yl)-N-[3-(4-propan-2-ylphenyl)propyl]piperidine-1-carboxamide
CID 137028643
(3S)-N-[3-(furan-2-ylmethylsulfanyl)propyl]-3-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide
CID 137222493
(3S)-1-(2-cyclopentylethylcarbamoyl)piperidine-3-carboxylic acid
CID 81125798
N-(2-cyclohexylethyl)-3-hydroxypiperidine-1-carboxamide
CID 110896376
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide
CID 137150690
4-[(3S)-1-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136801295
4-[1-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 135882181
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[(3R)-3-(6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]acetamide
CID 137052785
N-(3-chloro-2-methylphenyl)-3-oxo-3-[3-(6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]propanamide
CID 137253242
(3R)-N,N-dimethyl-3-[4-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carbonyl]piperidine-1-carboxamide
CID 136736985

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclooctylethyl)-3-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide?
The IUPAC name of N-(2-cyclooctylethyl)-3-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide (CID 137150709) is N-(2-cyclooctylethyl)-3-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-cyclooctylethyl)-3-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-cyclooctylethyl)-3-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide is O=C(NCCC1CCCCCCC1)N1CCCC(c2cc(=O)[nH]cn2)C1.
What is the InChIKey of N-(2-cyclooctylethyl)-3-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide?
The InChIKey is NABFLKYRBQOIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c25-19-13-18(22-15-23-19)17-9-6-12-24(14-17)20(26)21-11-10-16-7-4-2-1-3-5-8-16/h13,15-17H,1-12,14H2,(H,21,26)(H,22,23,25).
What are the key properties of N-(2-cyclooctylethyl)-3-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide?
N-(2-cyclooctylethyl)-3-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide has a molecular weight of 360.50 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclooctylethyl)-3-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 137150709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).