6-chloro-3-[1-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]piperidin-4-yl]-1H-indole

C30H41ClN4O — CID 18323647

IUPAC6-chloro-3-[1-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]piperidin-4-yl]-1H-indole
SMILESCOc1ccccc1N1CCN(CCCCCCN2CCC(c3c[nH]c4cc(Cl)ccc34)CC2)CC1
InChIInChI=1S/C30H41ClN4O/c1-36-30-9-5-4-8-29(30)35-20-18-34(19-21-35)15-7-3-2-6-14-33-16-12-24(13-17-33)27-23-32-28-22-25(31)10-11-26(27)28/h4-5,8-11,22-24,32H,2-3,6-7,12-21H2,1H3
InChIKeyBZLXCNKEDLXTPX-UHFFFAOYSA-N
MW509.14 g/mol
LogP6.39
Rot. Bonds10

About 6-chloro-3-[1-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]piperidin-4-yl]-1H-indole

6-chloro-3-[1-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]piperidin-4-yl]-1H-indole (PubChem CID 18323647) has the molecular formula C30H41ClN4O and a molecular weight of 509.14 g/mol. Its IUPAC name is 6-chloro-3-[1-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]piperidin-4-yl]-1H-indole.

Molecular Properties

Compound Name6-chloro-3-[1-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]piperidin-4-yl]-1H-indole
PubChem CID18323647
Molecular FormulaC30H41ClN4O
Molecular Weight509.14 g/mol
Exact Mass508.30
IUPAC Name6-chloro-3-[1-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]piperidin-4-yl]-1H-indole
SMILESCOc1ccccc1N1CCN(CCCCCCN2CCC(c3c[nH]c4cc(Cl)ccc34)CC2)CC1
InChIInChI=1S/C30H41ClN4O/c1-36-30-9-5-4-8-29(30)35-20-18-34(19-21-35)15-7-3-2-6-14-33-16-12-24(13-17-33)27-23-32-28-22-25(31)10-11-26(27)28/h4-5,8-11,22-24,32H,2-3,6-7,12-21H2,1H3
InChIKeyBZLXCNKEDLXTPX-UHFFFAOYSA-N
XLogP6.39
TPSA34.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.14
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-chloro-3-[1-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]piperidin-4-yl]-1H-indole with MolForge

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Related Compounds

methyl 3-[1-(3-aminopropyl)piperidin-4-yl]-1H-indole-6-carboxylate
CID 22909425
6-fluoro-3-[1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 18323653
1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2-methoxyphenyl)piperazine
CID 127033889
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
(1S)-3-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-1-(1H-indol-4-yloxy)propan-1-ol
CID 142627626
5-chloro-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzotriazole
CID 11740820
5-chloro-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3H-indol-2-one
CID 10597866
3-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]-5-methoxy-1H-indole;hydrochloride
CID 131720346
6-chloro-3-[1-[(4-propoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]-1H-indole
CID 18545911
2,5-dichloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide
CID 42273217
3-(1-butylpiperidin-4-yl)-1H-indole
CID 21135948
6-chloro-3-[3-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)phenyl]piperazin-1-yl]propyl]-1H-indole
CID 10164181

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[1-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]piperidin-4-yl]-1H-indole?
The IUPAC name of 6-chloro-3-[1-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]piperidin-4-yl]-1H-indole (CID 18323647) is 6-chloro-3-[1-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]piperidin-4-yl]-1H-indole.
What is the SMILES notation for 6-chloro-3-[1-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]piperidin-4-yl]-1H-indole?
The canonical SMILES for 6-chloro-3-[1-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]piperidin-4-yl]-1H-indole is COc1ccccc1N1CCN(CCCCCCN2CCC(c3c[nH]c4cc(Cl)ccc34)CC2)CC1.
What is the InChIKey of 6-chloro-3-[1-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]piperidin-4-yl]-1H-indole?
The InChIKey is BZLXCNKEDLXTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41ClN4O/c1-36-30-9-5-4-8-29(30)35-20-18-34(19-21-35)15-7-3-2-6-14-33-16-12-24(13-17-33)27-23-32-28-22-25(31)10-11-26(27)28/h4-5,8-11,22-24,32H,2-3,6-7,12-21H2,1H3.
What are the key properties of 6-chloro-3-[1-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]piperidin-4-yl]-1H-indole?
6-chloro-3-[1-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]piperidin-4-yl]-1H-indole has a molecular weight of 509.14 g/mol, XLogP of 6.39, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[1-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]piperidin-4-yl]-1H-indole is sourced from PubChem (CID 18323647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).