(3S)-1-cycloheptyl-N-methyl-N-(oxan-4-ylmethyl)-6-oxopiperidine-3-carboxamide

C20H34N2O3 — CID 42395113

IUPAC(3S)-1-cycloheptyl-N-methyl-N-(oxan-4-ylmethyl)-6-oxopiperidine-3-carboxamide
SMILESCN(CC1CCOCC1)C(=O)[C@H]1CCC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C20H34N2O3/c1-21(14-16-10-12-25-13-11-16)20(24)17-8-9-19(23)22(15-17)18-6-4-2-3-5-7-18/h16-18H,2-15H2,1H3/t17-/m0/s1
InChIKeyZAUGNDRZYUQJJX-KRWDZBQOSA-N
MW350.50 g/mol
LogP2.83
Rot. Bonds4

About (3S)-1-cycloheptyl-N-methyl-N-(oxan-4-ylmethyl)-6-oxopiperidine-3-carboxamide

(3S)-1-cycloheptyl-N-methyl-N-(oxan-4-ylmethyl)-6-oxopiperidine-3-carboxamide (PubChem CID 42395113) has the molecular formula C20H34N2O3 and a molecular weight of 350.50 g/mol. Its IUPAC name is (3S)-1-cycloheptyl-N-methyl-N-(oxan-4-ylmethyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-cycloheptyl-N-methyl-N-(oxan-4-ylmethyl)-6-oxopiperidine-3-carboxamide
PubChem CID42395113
Molecular FormulaC20H34N2O3
Molecular Weight350.50 g/mol
Exact Mass350.26
IUPAC Name(3S)-1-cycloheptyl-N-methyl-N-(oxan-4-ylmethyl)-6-oxopiperidine-3-carboxamide
SMILESCN(CC1CCOCC1)C(=O)[C@H]1CCC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C20H34N2O3/c1-21(14-16-10-12-25-13-11-16)20(24)17-8-9-19(23)22(15-17)18-6-4-2-3-5-7-18/h16-18H,2-15H2,1H3/t17-/m0/s1
InChIKeyZAUGNDRZYUQJJX-KRWDZBQOSA-N
XLogP2.83
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.50
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-cycloheptyl-N-methyl-N-(oxan-4-yl)-6-oxopiperidine-3-carboxamide
CID 26402276
N-methyl-N-(oxan-4-ylmethyl)cyclohexanecarboxamide
CID 110752395
(3R)-1-cyclopropyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 25455641
(3R)-1-cycloheptyl-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide
CID 26328640
(3R)-1-cycloheptyl-N-ethyl-5-oxo-N-[[(3S)-oxolan-3-yl]methyl]pyrrolidine-3-carboxamide
CID 95294699
(3S)-N-[(2-aminopyrimidin-5-yl)methyl]-1-cyclopentyl-N-methyl-6-oxopiperidine-3-carboxamide
CID 97115885
1-cycloheptyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]-6-oxopiperidine-3-carboxamide
CID 45178689
1-cyclopentyl-6-oxopiperidine-3-carboxylic acid
CID 44827692
1-cyclopentyl-N-methyl-6-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 72933035
1-cyclohexyl-N-methyl-N-[2-(oxan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 110614196
1-N,4-N-bis(cyclohexylmethyl)-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
CID 112814425
1-cycloheptyl-5-(1,2-oxazolidine-2-carbonyl)piperidin-2-one
CID 45189435

Frequently Asked Questions

What is the IUPAC name of (3S)-1-cycloheptyl-N-methyl-N-(oxan-4-ylmethyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3S)-1-cycloheptyl-N-methyl-N-(oxan-4-ylmethyl)-6-oxopiperidine-3-carboxamide (CID 42395113) is (3S)-1-cycloheptyl-N-methyl-N-(oxan-4-ylmethyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-cycloheptyl-N-methyl-N-(oxan-4-ylmethyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-cycloheptyl-N-methyl-N-(oxan-4-ylmethyl)-6-oxopiperidine-3-carboxamide is CN(CC1CCOCC1)C(=O)[C@H]1CCC(=O)N(C2CCCCCC2)C1.
What is the InChIKey of (3S)-1-cycloheptyl-N-methyl-N-(oxan-4-ylmethyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is ZAUGNDRZYUQJJX-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H34N2O3/c1-21(14-16-10-12-25-13-11-16)20(24)17-8-9-19(23)22(15-17)18-6-4-2-3-5-7-18/h16-18H,2-15H2,1H3/t17-/m0/s1.
What are the key properties of (3S)-1-cycloheptyl-N-methyl-N-(oxan-4-ylmethyl)-6-oxopiperidine-3-carboxamide?
(3S)-1-cycloheptyl-N-methyl-N-(oxan-4-ylmethyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 350.50 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cycloheptyl-N-methyl-N-(oxan-4-ylmethyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 42395113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).