(3S)-N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-3-methylpiperidine-1-carboxamide

C22H24N2O2 — CID 97023553

IUPAC(3S)-N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-3-methylpiperidine-1-carboxamide
SMILESC[C@H]1CCCN(C(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)C1
InChIInChI=1S/C22H24N2O2/c1-16-8-7-13-24(15-16)22(25)23-21(17-9-3-2-4-10-17)20-14-18-11-5-6-12-19(18)26-20/h2-6,9-12,14,16,21H,7-8,13,15H2,1H3,(H,23,25)/t16-,21+/m0/s1
InChIKeyJDKXIXWXHOYWSX-HRAATJIYSA-N
MW348.45 g/mol
LogP4.96
Rot. Bonds3

About (3S)-N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-3-methylpiperidine-1-carboxamide

(3S)-N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-3-methylpiperidine-1-carboxamide (PubChem CID 97023553) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is (3S)-N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-3-methylpiperidine-1-carboxamide
PubChem CID97023553
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name(3S)-N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-3-methylpiperidine-1-carboxamide
SMILESC[C@H]1CCCN(C(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)C1
InChIInChI=1S/C22H24N2O2/c1-16-8-7-13-24(15-16)22(25)23-21(17-9-3-2-4-10-17)20-14-18-11-5-6-12-19(18)26-20/h2-6,9-12,14,16,21H,7-8,13,15H2,1H3,(H,23,25)/t16-,21+/m0/s1
InChIKeyJDKXIXWXHOYWSX-HRAATJIYSA-N
XLogP4.96
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 95905263
1-[[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122011259
N-[1-benzofuran-2-yl(phenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119275756
4-amino-N-[1-benzofuran-2-yl(phenyl)methyl]pentanamide
CID 120559534
3-amino-N-[1-benzofuran-2-yl(phenyl)methyl]cyclopentane-1-carboxamide
CID 119697972
N-[(S)-1-benzofuran-2-yl(phenyl)methyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide
CID 97014856
N-benzhydryl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110882580
1-[(3S)-3-methylpiperidin-1-yl]-2,2-diphenylethanone
CID 1292213
N-benzhydryl-3-(methoxymethyl)piperidine-1-carboxamide
CID 90505520
N-[1-benzofuran-2-yl(phenyl)methyl]pyridine-4-carboxamide
CID 42925184
N-[cyclopentyl(phenyl)methyl]-3-methylpyrrolidine-1-carboxamide
CID 86880652
3-(hydroxymethyl)-N-[(4-methylphenyl)-phenylmethyl]piperidine-1-carboxamide
CID 110882604

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-3-methylpiperidine-1-carboxamide?
The IUPAC name of (3S)-N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-3-methylpiperidine-1-carboxamide (CID 97023553) is (3S)-N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-3-methylpiperidine-1-carboxamide?
The canonical SMILES for (3S)-N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-3-methylpiperidine-1-carboxamide is C[C@H]1CCCN(C(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)C1.
What is the InChIKey of (3S)-N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-3-methylpiperidine-1-carboxamide?
The InChIKey is JDKXIXWXHOYWSX-HRAATJIYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-16-8-7-13-24(15-16)22(25)23-21(17-9-3-2-4-10-17)20-14-18-11-5-6-12-19(18)26-20/h2-6,9-12,14,16,21H,7-8,13,15H2,1H3,(H,23,25)/t16-,21+/m0/s1.
What are the key properties of (3S)-N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-3-methylpiperidine-1-carboxamide?
(3S)-N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-3-methylpiperidine-1-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 97023553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).