1-(2-methoxy-2-phenylacetyl)-N-pentan-2-ylpiperidine-3-carboxamide

C20H30N2O3 — CID 49404500

IUPAC1-(2-methoxy-2-phenylacetyl)-N-pentan-2-ylpiperidine-3-carboxamide
SMILESCCCC(C)NC(=O)C1CCCN(C(=O)C(OC)c2ccccc2)C1
InChIInChI=1S/C20H30N2O3/c1-4-9-15(2)21-19(23)17-12-8-13-22(14-17)20(24)18(25-3)16-10-6-5-7-11-16/h5-7,10-11,15,17-18H,4,8-9,12-14H2,1-3H3,(H,21,23)
InChIKeySCJNTAOURPXGHG-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.92
Rot. Bonds7

About 1-(2-methoxy-2-phenylacetyl)-N-pentan-2-ylpiperidine-3-carboxamide

1-(2-methoxy-2-phenylacetyl)-N-pentan-2-ylpiperidine-3-carboxamide (PubChem CID 49404500) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-(2-methoxy-2-phenylacetyl)-N-pentan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxy-2-phenylacetyl)-N-pentan-2-ylpiperidine-3-carboxamide
PubChem CID49404500
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name1-(2-methoxy-2-phenylacetyl)-N-pentan-2-ylpiperidine-3-carboxamide
SMILESCCCC(C)NC(=O)C1CCCN(C(=O)C(OC)c2ccccc2)C1
InChIInChI=1S/C20H30N2O3/c1-4-9-15(2)21-19(23)17-12-8-13-22(14-17)20(24)18(25-3)16-10-6-5-7-11-16/h5-7,10-11,15,17-18H,4,8-9,12-14H2,1-3H3,(H,21,23)
InChIKeySCJNTAOURPXGHG-UHFFFAOYSA-N
XLogP2.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(2R)-2-methoxy-2-phenylacetyl]piperidine-3-carboxylic acid
CID 120684525
2-methoxy-2-phenyl-1-piperidin-1-ylethanone
CID 60775756
1-[2-(2-methoxyphenyl)acetyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 49405666
methyl 1-(2-methoxy-2-phenylacetyl)pyrrolidine-3-carboxylate
CID 112733867
(2S)-1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-methoxy-2-phenylethanone
CID 124677545
(3R)-1-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide
CID 94378645
1-(2-amino-2-phenylpropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 120591036
(3R)-1-(2-fluorobenzoyl)-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 94367783
(3S)-1-(2,6-difluorobenzoyl)-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 94367549
3-N-(5-methylhexan-2-yl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 24659153
1-(2-methoxy-2-phenylacetyl)piperidine-3-sulfonamide
CID 62098751
1-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxy-2-phenylethanone;hydrochloride
CID 119413072

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-2-phenylacetyl)-N-pentan-2-ylpiperidine-3-carboxamide?
The IUPAC name of 1-(2-methoxy-2-phenylacetyl)-N-pentan-2-ylpiperidine-3-carboxamide (CID 49404500) is 1-(2-methoxy-2-phenylacetyl)-N-pentan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxy-2-phenylacetyl)-N-pentan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-(2-methoxy-2-phenylacetyl)-N-pentan-2-ylpiperidine-3-carboxamide is CCCC(C)NC(=O)C1CCCN(C(=O)C(OC)c2ccccc2)C1.
What is the InChIKey of 1-(2-methoxy-2-phenylacetyl)-N-pentan-2-ylpiperidine-3-carboxamide?
The InChIKey is SCJNTAOURPXGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-4-9-15(2)21-19(23)17-12-8-13-22(14-17)20(24)18(25-3)16-10-6-5-7-11-16/h5-7,10-11,15,17-18H,4,8-9,12-14H2,1-3H3,(H,21,23).
What are the key properties of 1-(2-methoxy-2-phenylacetyl)-N-pentan-2-ylpiperidine-3-carboxamide?
1-(2-methoxy-2-phenylacetyl)-N-pentan-2-ylpiperidine-3-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-2-phenylacetyl)-N-pentan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 49404500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).