(3S)-1-cycloheptyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide

C18H27N3O3 — CID 42241808

IUPAC(3S)-1-cycloheptyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1cc(CNC(=O)[C@H]2CCC(=O)N(C3CCCCCC3)C2)on1
InChIInChI=1S/C18H27N3O3/c1-13-10-16(24-20-13)11-19-18(23)14-8-9-17(22)21(12-14)15-6-4-2-3-5-7-15/h10,14-15H,2-9,11-12H2,1H3,(H,19,23)/t14-/m0/s1
InChIKeyNOEMFCZJDGOCOU-AWEZNQCLSA-N
MW333.43 g/mol
LogP2.56
Rot. Bonds4

About (3S)-1-cycloheptyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide

(3S)-1-cycloheptyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 42241808) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is (3S)-1-cycloheptyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-cycloheptyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID42241808
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name(3S)-1-cycloheptyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1cc(CNC(=O)[C@H]2CCC(=O)N(C3CCCCCC3)C2)on1
InChIInChI=1S/C18H27N3O3/c1-13-10-16(24-20-13)11-19-18(23)14-8-9-17(22)21(12-14)15-6-4-2-3-5-7-15/h10,14-15H,2-9,11-12H2,1H3,(H,19,23)/t14-/m0/s1
InChIKeyNOEMFCZJDGOCOU-AWEZNQCLSA-N
XLogP2.56
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanecarboxamide
CID 53017058
(3R)-1-cycloheptyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 97130097
(3S)-1-cycloheptyl-N-[(3-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 25480878
1-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 45195394
(3R)-1-cycloheptyl-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 42097141
1-cyclopentyl-N-[(2,3-difluoro-4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 24817350
(3S)-N-(1,3-benzodioxol-5-ylmethyl)-1-cycloheptyl-6-oxopiperidine-3-carboxamide
CID 26323810
N-(1,3-benzodioxol-5-ylmethyl)-1-cycloheptyl-6-oxopiperidine-3-carboxamide
CID 45229982
(3R)-1-cycloheptyl-6-oxo-N-(pyrimidin-4-ylmethyl)piperidine-3-carboxamide
CID 97144634
1-cyclopentyl-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-6-oxopiperidine-3-carboxamide
CID 119075033
1-cycloheptyl-N-(2-methylsulfanylethyl)-6-oxopiperidine-3-carboxamide
CID 45195665
(3S)-1-cyclopropyl-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 26326584

Frequently Asked Questions

What is the IUPAC name of (3S)-1-cycloheptyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3S)-1-cycloheptyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide (CID 42241808) is (3S)-1-cycloheptyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-cycloheptyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-cycloheptyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide is Cc1cc(CNC(=O)[C@H]2CCC(=O)N(C3CCCCCC3)C2)on1.
What is the InChIKey of (3S)-1-cycloheptyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is NOEMFCZJDGOCOU-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-13-10-16(24-20-13)11-19-18(23)14-8-9-17(22)21(12-14)15-6-4-2-3-5-7-15/h10,14-15H,2-9,11-12H2,1H3,(H,19,23)/t14-/m0/s1.
What are the key properties of (3S)-1-cycloheptyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide?
(3S)-1-cycloheptyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cycloheptyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 42241808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).