(3S)-1-[(3-methoxyphenyl)methyl]-N-[(3-methyl-1H-indol-2-yl)methyl]piperidin-3-amine

C23H29N3O — CID 92708760

IUPAC(3S)-1-[(3-methoxyphenyl)methyl]-N-[(3-methyl-1H-indol-2-yl)methyl]piperidin-3-amine
SMILESCOc1cccc(CN2CCC[C@H](NCc3[nH]c4ccccc4c3C)C2)c1
InChIInChI=1S/C23H29N3O/c1-17-21-10-3-4-11-22(21)25-23(17)14-24-19-8-6-12-26(16-19)15-18-7-5-9-20(13-18)27-2/h3-5,7,9-11,13,19,24-25H,6,8,12,14-16H2,1-2H3/t19-/m0/s1
InChIKeyRCWZHBZHCLPGJH-IBGZPJMESA-N
MW363.50 g/mol
LogP4.24
Rot. Bonds6

About (3S)-1-[(3-methoxyphenyl)methyl]-N-[(3-methyl-1H-indol-2-yl)methyl]piperidin-3-amine

(3S)-1-[(3-methoxyphenyl)methyl]-N-[(3-methyl-1H-indol-2-yl)methyl]piperidin-3-amine (PubChem CID 92708760) has the molecular formula C23H29N3O and a molecular weight of 363.50 g/mol. Its IUPAC name is (3S)-1-[(3-methoxyphenyl)methyl]-N-[(3-methyl-1H-indol-2-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[(3-methoxyphenyl)methyl]-N-[(3-methyl-1H-indol-2-yl)methyl]piperidin-3-amine
PubChem CID92708760
Molecular FormulaC23H29N3O
Molecular Weight363.50 g/mol
Exact Mass363.23
IUPAC Name(3S)-1-[(3-methoxyphenyl)methyl]-N-[(3-methyl-1H-indol-2-yl)methyl]piperidin-3-amine
SMILESCOc1cccc(CN2CCC[C@H](NCc3[nH]c4ccccc4c3C)C2)c1
InChIInChI=1S/C23H29N3O/c1-17-21-10-3-4-11-22(21)25-23(17)14-24-19-8-6-12-26(16-19)15-18-7-5-9-20(13-18)27-2/h3-5,7,9-11,13,19,24-25H,6,8,12,14-16H2,1-2H3/t19-/m0/s1
InChIKeyRCWZHBZHCLPGJH-IBGZPJMESA-N
XLogP4.24
TPSA40.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-[(3-methoxyphenyl)methyl]piperidin-3-amine
CID 56701607
(3R)-N-[(8-methoxy-2H-chromen-3-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperidin-3-amine
CID 51633437
N-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzenesulfonamide
CID 95708462
1-[(3-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 61029194
1-[(3-methoxyphenyl)methyl]-N-(2-naphthalen-1-ylethyl)pyrrolidin-3-amine
CID 142707470
N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 25374475
2-chloro-N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzamide
CID 25449017
1-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methylethanamine
CID 63852701
3-(bromomethyl)-1-[(3-methoxyphenyl)methyl]piperidine
CID 80679418
(3S)-N-benzyl-1-[(3-fluorophenyl)methyl]piperidin-3-amine
CID 97082368
1-benzyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]piperidin-3-amine
CID 55684158
[(3R)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-3-yl]methanol
CID 95857188

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(3-methoxyphenyl)methyl]-N-[(3-methyl-1H-indol-2-yl)methyl]piperidin-3-amine?
The IUPAC name of (3S)-1-[(3-methoxyphenyl)methyl]-N-[(3-methyl-1H-indol-2-yl)methyl]piperidin-3-amine (CID 92708760) is (3S)-1-[(3-methoxyphenyl)methyl]-N-[(3-methyl-1H-indol-2-yl)methyl]piperidin-3-amine.
What is the SMILES notation for (3S)-1-[(3-methoxyphenyl)methyl]-N-[(3-methyl-1H-indol-2-yl)methyl]piperidin-3-amine?
The canonical SMILES for (3S)-1-[(3-methoxyphenyl)methyl]-N-[(3-methyl-1H-indol-2-yl)methyl]piperidin-3-amine is COc1cccc(CN2CCC[C@H](NCc3[nH]c4ccccc4c3C)C2)c1.
What is the InChIKey of (3S)-1-[(3-methoxyphenyl)methyl]-N-[(3-methyl-1H-indol-2-yl)methyl]piperidin-3-amine?
The InChIKey is RCWZHBZHCLPGJH-IBGZPJMESA-N. The full InChI is InChI=1S/C23H29N3O/c1-17-21-10-3-4-11-22(21)25-23(17)14-24-19-8-6-12-26(16-19)15-18-7-5-9-20(13-18)27-2/h3-5,7,9-11,13,19,24-25H,6,8,12,14-16H2,1-2H3/t19-/m0/s1.
What are the key properties of (3S)-1-[(3-methoxyphenyl)methyl]-N-[(3-methyl-1H-indol-2-yl)methyl]piperidin-3-amine?
(3S)-1-[(3-methoxyphenyl)methyl]-N-[(3-methyl-1H-indol-2-yl)methyl]piperidin-3-amine has a molecular weight of 363.50 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(3-methoxyphenyl)methyl]-N-[(3-methyl-1H-indol-2-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 92708760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).