N-[5-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]pentyl]-1H-indole-2-carboxamide

C27H35ClN4O2 — CID 165112161

IUPACN-[5-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]pentyl]-1H-indole-2-carboxamide
SMILESCCc1cc(Cl)c(OC)c(N2CCN(CCCCCNC(=O)c3cc4ccccc4[nH]3)CC2)c1
InChIInChI=1S/C27H35ClN4O2/c1-3-20-17-22(28)26(34-2)25(18-20)32-15-13-31(14-16-32)12-8-4-7-11-29-27(33)24-19-21-9-5-6-10-23(21)30-24/h5-6,9-10,17-19,30H,3-4,7-8,11-16H2,1-2H3,(H,29,33)
InChIKeyBIONXCOSPRCKKH-UHFFFAOYSA-N
MW483.06 g/mol
LogP5.11
Rot. Bonds10

About N-[5-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]pentyl]-1H-indole-2-carboxamide

N-[5-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]pentyl]-1H-indole-2-carboxamide (PubChem CID 165112161) has the molecular formula C27H35ClN4O2 and a molecular weight of 483.06 g/mol. Its IUPAC name is N-[5-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]pentyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[5-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]pentyl]-1H-indole-2-carboxamide
PubChem CID165112161
Molecular FormulaC27H35ClN4O2
Molecular Weight483.06 g/mol
Exact Mass482.24
IUPAC NameN-[5-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]pentyl]-1H-indole-2-carboxamide
SMILESCCc1cc(Cl)c(OC)c(N2CCN(CCCCCNC(=O)c3cc4ccccc4[nH]3)CC2)c1
InChIInChI=1S/C27H35ClN4O2/c1-3-20-17-22(28)26(34-2)25(18-20)32-15-13-31(14-16-32)12-8-4-7-11-29-27(33)24-19-21-9-5-6-10-23(21)30-24/h5-6,9-10,17-19,30H,3-4,7-8,11-16H2,1-2H3,(H,29,33)
InChIKeyBIONXCOSPRCKKH-UHFFFAOYSA-N
XLogP5.11
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.06
LogP ≤ 55.11
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-[4-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]-3-fluorobutyl]-1H-indole-2-carboxamide
CID 130431295
N-[(3R)-4-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]-3-hydroxybutyl]-1H-indole-2-carboxamide
CID 130431329
N-[(3R)-4-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]-3-hydroxyhexyl]-1H-indole-2-carboxamide
CID 169211158
N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
CID 174673242
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide
CID 39990796
4-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]butan-1-amine
CID 130431326
5-bromo-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
CID 10007017
4-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]butanenitrile
CID 169211159
5-cyano-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
CID 10367438
N-[4-[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butyl]-1H-indole-2-carboxamide
CID 118710466
N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide
CID 2219273
methyl 6-(1H-indole-2-carbonylamino)hexanoate
CID 43407298

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]pentyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[5-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]pentyl]-1H-indole-2-carboxamide (CID 165112161) is N-[5-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]pentyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[5-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]pentyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[5-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]pentyl]-1H-indole-2-carboxamide is CCc1cc(Cl)c(OC)c(N2CCN(CCCCCNC(=O)c3cc4ccccc4[nH]3)CC2)c1.
What is the InChIKey of N-[5-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]pentyl]-1H-indole-2-carboxamide?
The InChIKey is BIONXCOSPRCKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35ClN4O2/c1-3-20-17-22(28)26(34-2)25(18-20)32-15-13-31(14-16-32)12-8-4-7-11-29-27(33)24-19-21-9-5-6-10-23(21)30-24/h5-6,9-10,17-19,30H,3-4,7-8,11-16H2,1-2H3,(H,29,33).
What are the key properties of N-[5-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]pentyl]-1H-indole-2-carboxamide?
N-[5-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]pentyl]-1H-indole-2-carboxamide has a molecular weight of 483.06 g/mol, XLogP of 5.11, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]pentyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 165112161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).