N-[(1S)-1-(4-ethylphenyl)ethyl]-1-[(1-methylindol-3-yl)methyl]piperidine-4-carboxamide

C26H33N3O — CID 95056572

IUPACN-[(1S)-1-(4-ethylphenyl)ethyl]-1-[(1-methylindol-3-yl)methyl]piperidine-4-carboxamide
SMILESCCc1ccc([C@H](C)NC(=O)C2CCN(Cc3cn(C)c4ccccc34)CC2)cc1
InChIInChI=1S/C26H33N3O/c1-4-20-9-11-21(12-10-20)19(2)27-26(30)22-13-15-29(16-14-22)18-23-17-28(3)25-8-6-5-7-24(23)25/h5-12,17,19,22H,4,13-16,18H2,1-3H3,(H,27,30)/t19-/m0/s1
InChIKeyCOENZLJVGHHVSW-IBGZPJMESA-N
MW403.57 g/mol
LogP4.83
Rot. Bonds6

About N-[(1S)-1-(4-ethylphenyl)ethyl]-1-[(1-methylindol-3-yl)methyl]piperidine-4-carboxamide

N-[(1S)-1-(4-ethylphenyl)ethyl]-1-[(1-methylindol-3-yl)methyl]piperidine-4-carboxamide (PubChem CID 95056572) has the molecular formula C26H33N3O and a molecular weight of 403.57 g/mol. Its IUPAC name is N-[(1S)-1-(4-ethylphenyl)ethyl]-1-[(1-methylindol-3-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-ethylphenyl)ethyl]-1-[(1-methylindol-3-yl)methyl]piperidine-4-carboxamide
PubChem CID95056572
Molecular FormulaC26H33N3O
Molecular Weight403.57 g/mol
Exact Mass403.26
IUPAC NameN-[(1S)-1-(4-ethylphenyl)ethyl]-1-[(1-methylindol-3-yl)methyl]piperidine-4-carboxamide
SMILESCCc1ccc([C@H](C)NC(=O)C2CCN(Cc3cn(C)c4ccccc34)CC2)cc1
InChIInChI=1S/C26H33N3O/c1-4-20-9-11-21(12-10-20)19(2)27-26(30)22-13-15-29(16-14-22)18-23-17-28(3)25-8-6-5-7-24(23)25/h5-12,17,19,22H,4,13-16,18H2,1-3H3,(H,27,30)/t19-/m0/s1
InChIKeyCOENZLJVGHHVSW-IBGZPJMESA-N
XLogP4.83
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-ethylphenyl)ethyl]-1-[(1-methylindol-3-yl)methyl]piperidine-4-carboxamide
CID 53036166
N-[1-(3-methoxyphenyl)ethyl]-1-[(1-methylindol-3-yl)methyl]piperidine-4-carboxamide
CID 53036163
1-[(3-chlorophenyl)methyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]piperidine-4-carboxamide
CID 100751573
1-[(4-chlorophenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 2187102
1-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]ethanamine
CID 63597240
1-benzyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 94024263
1-[(2-ethoxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 7334962
N-[(1R)-1-(4-ethylphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 95877731
1-[(4-methoxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 51361840
N-[[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine
CID 80550532
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 94013959
1-[(4-fluorophenyl)methyl]-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 46776173

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-ethylphenyl)ethyl]-1-[(1-methylindol-3-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[(1S)-1-(4-ethylphenyl)ethyl]-1-[(1-methylindol-3-yl)methyl]piperidine-4-carboxamide (CID 95056572) is N-[(1S)-1-(4-ethylphenyl)ethyl]-1-[(1-methylindol-3-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-ethylphenyl)ethyl]-1-[(1-methylindol-3-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-ethylphenyl)ethyl]-1-[(1-methylindol-3-yl)methyl]piperidine-4-carboxamide is CCc1ccc([C@H](C)NC(=O)C2CCN(Cc3cn(C)c4ccccc34)CC2)cc1.
What is the InChIKey of N-[(1S)-1-(4-ethylphenyl)ethyl]-1-[(1-methylindol-3-yl)methyl]piperidine-4-carboxamide?
The InChIKey is COENZLJVGHHVSW-IBGZPJMESA-N. The full InChI is InChI=1S/C26H33N3O/c1-4-20-9-11-21(12-10-20)19(2)27-26(30)22-13-15-29(16-14-22)18-23-17-28(3)25-8-6-5-7-24(23)25/h5-12,17,19,22H,4,13-16,18H2,1-3H3,(H,27,30)/t19-/m0/s1.
What are the key properties of N-[(1S)-1-(4-ethylphenyl)ethyl]-1-[(1-methylindol-3-yl)methyl]piperidine-4-carboxamide?
N-[(1S)-1-(4-ethylphenyl)ethyl]-1-[(1-methylindol-3-yl)methyl]piperidine-4-carboxamide has a molecular weight of 403.57 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-ethylphenyl)ethyl]-1-[(1-methylindol-3-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 95056572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).