(3S)-3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-piperidin-1-ylethyl)propanamide

C26H33N3O — CID 1026696

IUPAC(3S)-3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-piperidin-1-ylethyl)propanamide
SMILESCc1cccc([C@H](CC(=O)NCCN2CCCCC2)c2cn(C)c3ccccc23)c1
InChIInChI=1S/C26H33N3O/c1-20-9-8-10-21(17-20)23(24-19-28(2)25-12-5-4-11-22(24)25)18-26(30)27-13-16-29-14-6-3-7-15-29/h4-5,8-12,17,19,23H,3,6-7,13-16,18H2,1-2H3,(H,27,30)/t23-/m0/s1
InChIKeyBPQBZHGAUJQDRX-QHCPKHFHSA-N
MW403.57 g/mol
LogP4.61
Rot. Bonds7

About (3S)-3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-piperidin-1-ylethyl)propanamide

(3S)-3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-piperidin-1-ylethyl)propanamide (PubChem CID 1026696) has the molecular formula C26H33N3O and a molecular weight of 403.57 g/mol. Its IUPAC name is (3S)-3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-piperidin-1-ylethyl)propanamide.

Molecular Properties

Compound Name(3S)-3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-piperidin-1-ylethyl)propanamide
PubChem CID1026696
Molecular FormulaC26H33N3O
Molecular Weight403.57 g/mol
Exact Mass403.26
IUPAC Name(3S)-3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-piperidin-1-ylethyl)propanamide
SMILESCc1cccc([C@H](CC(=O)NCCN2CCCCC2)c2cn(C)c3ccccc23)c1
InChIInChI=1S/C26H33N3O/c1-20-9-8-10-21(17-20)23(24-19-28(2)25-12-5-4-11-22(24)25)18-26(30)27-13-16-29-14-6-3-7-15-29/h4-5,8-12,17,19,23H,3,6-7,13-16,18H2,1-2H3,(H,27,30)/t23-/m0/s1
InChIKeyBPQBZHGAUJQDRX-QHCPKHFHSA-N
XLogP4.61
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 3336286
N-(3-methylbutyl)-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide
CID 3336287
N-benzyl-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide
CID 3336280
(3S)-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 92959586
3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide
CID 42774737
3-(1-methylindol-3-yl)-N-(2-piperidin-1-ylethyl)-3-thiophen-2-ylpropanamide
CID 42778058
3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanoic acid
CID 3542496
3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 3336438
3-(1-benzylindol-3-yl)-3-(3-phenoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 42774245
(3S)-3-(1-benzylindol-3-yl)-3-(3-phenoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 98443792
3-(1-methylindol-3-yl)-3-(3-methylphenyl)-1-morpholin-4-ylpropan-1-one
CID 42774723
3-[3-(4-chlorophenoxy)phenyl]-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 83277982

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-piperidin-1-ylethyl)propanamide?
The IUPAC name of (3S)-3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-piperidin-1-ylethyl)propanamide (CID 1026696) is (3S)-3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-piperidin-1-ylethyl)propanamide.
What is the SMILES notation for (3S)-3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-piperidin-1-ylethyl)propanamide?
The canonical SMILES for (3S)-3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-piperidin-1-ylethyl)propanamide is Cc1cccc([C@H](CC(=O)NCCN2CCCCC2)c2cn(C)c3ccccc23)c1.
What is the InChIKey of (3S)-3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-piperidin-1-ylethyl)propanamide?
The InChIKey is BPQBZHGAUJQDRX-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H33N3O/c1-20-9-8-10-21(17-20)23(24-19-28(2)25-12-5-4-11-22(24)25)18-26(30)27-13-16-29-14-6-3-7-15-29/h4-5,8-12,17,19,23H,3,6-7,13-16,18H2,1-2H3,(H,27,30)/t23-/m0/s1.
What are the key properties of (3S)-3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-piperidin-1-ylethyl)propanamide?
(3S)-3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-piperidin-1-ylethyl)propanamide has a molecular weight of 403.57 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-piperidin-1-ylethyl)propanamide is sourced from PubChem (CID 1026696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).