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

C20H32N4O2 — CID 137084147

IUPAC(3R)-N-(2-cyclooctylethyl)-3-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide
SMILESO=C(NCCC1CCCCCCC1)N1CCC[C@@H](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)/t17-/m1/s1
InChIKeyNABFLKYRBQOIBM-QGZVFWFLSA-N
MW360.50 g/mol
LogP3.41
Rot. Bonds4

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

(3R)-N-(2-cyclooctylethyl)-3-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide (PubChem CID 137084147) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is (3R)-N-(2-cyclooctylethyl)-3-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-cyclooctylethyl)-3-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide
PubChem CID137084147
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name(3R)-N-(2-cyclooctylethyl)-3-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide
SMILESO=C(NCCC1CCCCCCC1)N1CCC[C@@H](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)/t17-/m1/s1
InChIKeyNABFLKYRBQOIBM-QGZVFWFLSA-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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Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-cyclooctylethyl)-3-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-(2-cyclooctylethyl)-3-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide (CID 137084147) is (3R)-N-(2-cyclooctylethyl)-3-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(2-cyclooctylethyl)-3-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-(2-cyclooctylethyl)-3-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide is O=C(NCCC1CCCCCCC1)N1CCC[C@@H](c2cc(=O)[nH]cn2)C1.
What is the InChIKey of (3R)-N-(2-cyclooctylethyl)-3-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide?
The InChIKey is NABFLKYRBQOIBM-QGZVFWFLSA-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)/t17-/m1/s1.
What are the key properties of (3R)-N-(2-cyclooctylethyl)-3-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide?
(3R)-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 (3R)-N-(2-cyclooctylethyl)-3-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 137084147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).