(3R)-N-(3-ethylphenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide

C26H28N2O2 — CID 94082707

IUPAC(3R)-N-(3-ethylphenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
SMILESCCc1cccc(NC(=O)[C@@H]2CCCN(C(=O)Cc3cccc4ccccc34)C2)c1
InChIInChI=1S/C26H28N2O2/c1-2-19-8-5-13-23(16-19)27-26(30)22-12-7-15-28(18-22)25(29)17-21-11-6-10-20-9-3-4-14-24(20)21/h3-6,8-11,13-14,16,22H,2,7,12,15,17-18H2,1H3,(H,27,30)/t22-/m1/s1
InChIKeyUWGRSVRIJIMFGS-JOCHJYFZSA-N
MW400.52 g/mol
LogP4.82
Rot. Bonds5

About (3R)-N-(3-ethylphenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide

(3R)-N-(3-ethylphenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide (PubChem CID 94082707) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is (3R)-N-(3-ethylphenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-ethylphenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
PubChem CID94082707
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Name(3R)-N-(3-ethylphenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
SMILESCCc1cccc(NC(=O)[C@@H]2CCCN(C(=O)Cc3cccc4ccccc34)C2)c1
InChIInChI=1S/C26H28N2O2/c1-2-19-8-5-13-23(16-19)27-26(30)22-12-7-15-28(18-22)25(29)17-21-11-6-10-20-9-3-4-14-24(20)21/h3-6,8-11,13-14,16,22H,2,7,12,15,17-18H2,1H3,(H,27,30)/t22-/m1/s1
InChIKeyUWGRSVRIJIMFGS-JOCHJYFZSA-N
XLogP4.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-(2-chlorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 94082630
(3R)-N-[(3-bromophenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 94082744
N-[(3-chlorophenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 50803992
N-(3-ethylphenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 46516477
N-(2,4-difluorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 50804171
(3S)-1-(2-naphthalen-1-ylacetyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 94082667
N-(4-chloro-2-fluorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 50804204
1-acetyl-N-[3-(ethylaminomethyl)phenyl]piperidine-3-carboxamide
CID 119438060
N-(3-ethylphenyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide
CID 50804384
N-[(4-chlorophenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 50804112
(3S)-N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 96521978
1-(3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone
CID 2948345

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-ethylphenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(3-ethylphenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide (CID 94082707) is (3R)-N-(3-ethylphenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(3-ethylphenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(3-ethylphenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide is CCc1cccc(NC(=O)[C@@H]2CCCN(C(=O)Cc3cccc4ccccc34)C2)c1.
What is the InChIKey of (3R)-N-(3-ethylphenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide?
The InChIKey is UWGRSVRIJIMFGS-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-2-19-8-5-13-23(16-19)27-26(30)22-12-7-15-28(18-22)25(29)17-21-11-6-10-20-9-3-4-14-24(20)21/h3-6,8-11,13-14,16,22H,2,7,12,15,17-18H2,1H3,(H,27,30)/t22-/m1/s1.
What are the key properties of (3R)-N-(3-ethylphenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide?
(3R)-N-(3-ethylphenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide has a molecular weight of 400.52 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-ethylphenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 94082707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).