(3R)-1-cycloheptyl-6-oxo-N-(pyrimidin-4-ylmethyl)piperidine-3-carboxamide

C18H26N4O2 — CID 97144634

IUPAC(3R)-1-cycloheptyl-6-oxo-N-(pyrimidin-4-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccncn1)[C@@H]1CCC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C18H26N4O2/c23-17-8-7-14(12-22(17)16-5-3-1-2-4-6-16)18(24)20-11-15-9-10-19-13-21-15/h9-10,13-14,16H,1-8,11-12H2,(H,20,24)/t14-/m1/s1
InChIKeyABEKOVMSQMBRDJ-CQSZACIVSA-N
MW330.43 g/mol
LogP2.05
Rot. Bonds4

About (3R)-1-cycloheptyl-6-oxo-N-(pyrimidin-4-ylmethyl)piperidine-3-carboxamide

(3R)-1-cycloheptyl-6-oxo-N-(pyrimidin-4-ylmethyl)piperidine-3-carboxamide (PubChem CID 97144634) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is (3R)-1-cycloheptyl-6-oxo-N-(pyrimidin-4-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-cycloheptyl-6-oxo-N-(pyrimidin-4-ylmethyl)piperidine-3-carboxamide
PubChem CID97144634
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name(3R)-1-cycloheptyl-6-oxo-N-(pyrimidin-4-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccncn1)[C@@H]1CCC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C18H26N4O2/c23-17-8-7-14(12-22(17)16-5-3-1-2-4-6-16)18(24)20-11-15-9-10-19-13-21-15/h9-10,13-14,16H,1-8,11-12H2,(H,20,24)/t14-/m1/s1
InChIKeyABEKOVMSQMBRDJ-CQSZACIVSA-N
XLogP2.05
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-cycloheptyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 97130097
1-cyclohexyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 17257395
(3R)-1-cycloheptyl-6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide
CID 42245576
1-cycloheptyl-6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide
CID 45238528
1-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 45195394
(3S)-1-cycloheptyl-6-oxo-N-(4-pyridin-2-ylbutyl)piperidine-3-carboxamide
CID 42292351
(3R)-1-cycloheptyl-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 42097141
N-(pyrimidin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 45194172
1-cycloheptyl-6-oxo-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide
CID 72877964
(3R)-1-cyclopentyl-6-oxo-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide
CID 42595190
(3S)-1-cycloheptyl-N-[(3-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 25480878
1-cyclopentyl-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-6-oxopiperidine-3-carboxamide
CID 119075033

Frequently Asked Questions

What is the IUPAC name of (3R)-1-cycloheptyl-6-oxo-N-(pyrimidin-4-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-cycloheptyl-6-oxo-N-(pyrimidin-4-ylmethyl)piperidine-3-carboxamide (CID 97144634) is (3R)-1-cycloheptyl-6-oxo-N-(pyrimidin-4-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-cycloheptyl-6-oxo-N-(pyrimidin-4-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-cycloheptyl-6-oxo-N-(pyrimidin-4-ylmethyl)piperidine-3-carboxamide is O=C(NCc1ccncn1)[C@@H]1CCC(=O)N(C2CCCCCC2)C1.
What is the InChIKey of (3R)-1-cycloheptyl-6-oxo-N-(pyrimidin-4-ylmethyl)piperidine-3-carboxamide?
The InChIKey is ABEKOVMSQMBRDJ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H26N4O2/c23-17-8-7-14(12-22(17)16-5-3-1-2-4-6-16)18(24)20-11-15-9-10-19-13-21-15/h9-10,13-14,16H,1-8,11-12H2,(H,20,24)/t14-/m1/s1.
What are the key properties of (3R)-1-cycloheptyl-6-oxo-N-(pyrimidin-4-ylmethyl)piperidine-3-carboxamide?
(3R)-1-cycloheptyl-6-oxo-N-(pyrimidin-4-ylmethyl)piperidine-3-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cycloheptyl-6-oxo-N-(pyrimidin-4-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 97144634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).