1-[3-(1H-indol-2-yl)phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]piperidin-4-amine

C27H37N5 — CID 140939060

IUPAC1-[3-(1H-indol-2-yl)phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]piperidin-4-amine
SMILESCN1CCN(CCCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1
InChIInChI=1S/C27H37N5/c1-30-16-18-31(19-17-30)13-5-12-28-24-10-14-32(15-11-24)25-8-4-7-22(20-25)27-21-23-6-2-3-9-26(23)29-27/h2-4,6-9,20-21,24,28-29H,5,10-19H2,1H3
InChIKeyKVOBCFKUQMHVSH-UHFFFAOYSA-N
MW431.63 g/mol
LogP4.03
Rot. Bonds7

About 1-[3-(1H-indol-2-yl)phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]piperidin-4-amine

1-[3-(1H-indol-2-yl)phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]piperidin-4-amine (PubChem CID 140939060) has the molecular formula C27H37N5 and a molecular weight of 431.63 g/mol. Its IUPAC name is 1-[3-(1H-indol-2-yl)phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[3-(1H-indol-2-yl)phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]piperidin-4-amine
PubChem CID140939060
Molecular FormulaC27H37N5
Molecular Weight431.63 g/mol
Exact Mass431.30
IUPAC Name1-[3-(1H-indol-2-yl)phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]piperidin-4-amine
SMILESCN1CCN(CCCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1
InChIInChI=1S/C27H37N5/c1-30-16-18-31(19-17-30)13-5-12-28-24-10-14-32(15-11-24)25-8-4-7-22(20-25)27-21-23-6-2-3-9-26(23)29-27/h2-4,6-9,20-21,24,28-29H,5,10-19H2,1H3
InChIKeyKVOBCFKUQMHVSH-UHFFFAOYSA-N
XLogP4.03
TPSA37.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.63
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine
CID 140939089
N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine
CID 140939133
2-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-indole
CID 140939131
1-[3-(1H-indol-2-yl)phenyl]-N-(pyridin-4-ylmethyl)piperidin-4-amine
CID 146536104
1-[3-(5,6-difluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine
CID 140939166
N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 140939087
N-[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]-1-methylpiperidin-4-amine
CID 140939169
5-[3-(1H-indol-2-yl)phenyl]-4-N-[3-(4-methylpiperazin-1-yl)propyl]pyrimidine-2,4-diamine
CID 68914806
2-[3-[4-[2-(2-methyl-1,2,4-triazol-3-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile
CID 140939080
N-[1-[3-(5-fluoro-1H-indol-2-yl)-4-methylphenyl]piperidin-4-yl]-1-methylpiperidin-4-amine;1-[3-(5-fluoro-1H-indol-2-yl)phenyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine;2-[2-methyl-5-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile;2-[3-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile
CID 165045133
1-[3-(1H-indol-2-yl)-4-methylphenyl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine
CID 140939162
2-[3-[4-[2-(4-propan-2-ylpiperazin-1-yl)ethylidene]piperidin-1-yl]phenyl]-1H-indole
CID 140939103

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-indol-2-yl)phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]piperidin-4-amine?
The IUPAC name of 1-[3-(1H-indol-2-yl)phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]piperidin-4-amine (CID 140939060) is 1-[3-(1H-indol-2-yl)phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]piperidin-4-amine.
What is the SMILES notation for 1-[3-(1H-indol-2-yl)phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]piperidin-4-amine?
The canonical SMILES for 1-[3-(1H-indol-2-yl)phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]piperidin-4-amine is CN1CCN(CCCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1.
What is the InChIKey of 1-[3-(1H-indol-2-yl)phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]piperidin-4-amine?
The InChIKey is KVOBCFKUQMHVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N5/c1-30-16-18-31(19-17-30)13-5-12-28-24-10-14-32(15-11-24)25-8-4-7-22(20-25)27-21-23-6-2-3-9-26(23)29-27/h2-4,6-9,20-21,24,28-29H,5,10-19H2,1H3.
What are the key properties of 1-[3-(1H-indol-2-yl)phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]piperidin-4-amine?
1-[3-(1H-indol-2-yl)phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]piperidin-4-amine has a molecular weight of 431.63 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-indol-2-yl)phenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]piperidin-4-amine is sourced from PubChem (CID 140939060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).