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

C26H33ClN4O3 — CID 130431318

IUPACN-[4-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]-3-hydroxybutyl]-1H-indole-2-carboxamide
SMILESCCc1cc(Cl)c(OC)c(N2CCN(CC(O)CCNC(=O)c3cc4ccccc4[nH]3)CC2)c1
InChIInChI=1S/C26H33ClN4O3/c1-3-18-14-21(27)25(34-2)24(15-18)31-12-10-30(11-13-31)17-20(32)8-9-28-26(33)23-16-19-6-4-5-7-22(19)29-23/h4-7,14-16,20,29,32H,3,8-13,17H2,1-2H3,(H,28,33)
InChIKeyNRSBRNRWCATXOT-UHFFFAOYSA-N
MW485.03 g/mol
LogP3.70
Rot. Bonds9

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

N-[4-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]-3-hydroxybutyl]-1H-indole-2-carboxamide (PubChem CID 130431318) has the molecular formula C26H33ClN4O3 and a molecular weight of 485.03 g/mol. Its IUPAC name is N-[4-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]-3-hydroxybutyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]-3-hydroxybutyl]-1H-indole-2-carboxamide
PubChem CID130431318
Molecular FormulaC26H33ClN4O3
Molecular Weight485.03 g/mol
Exact Mass484.22
IUPAC NameN-[4-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]-3-hydroxybutyl]-1H-indole-2-carboxamide
SMILESCCc1cc(Cl)c(OC)c(N2CCN(CC(O)CCNC(=O)c3cc4ccccc4[nH]3)CC2)c1
InChIInChI=1S/C26H33ClN4O3/c1-3-18-14-21(27)25(34-2)24(15-18)31-12-10-30(11-13-31)17-20(32)8-9-28-26(33)23-16-19-6-4-5-7-22(19)29-23/h4-7,14-16,20,29,32H,3,8-13,17H2,1-2H3,(H,28,33)
InChIKeyNRSBRNRWCATXOT-UHFFFAOYSA-N
XLogP3.70
TPSA80.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.03
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-(4-(2-Methoxyphenyl)piperazin-1-yl)butyl)-1H-indole-2-carboxamide
CID 10454026
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-3-hydroxybutyl]-5-methoxy-1H-indole-2-carboxamide
CID 42626172
N-[2-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
CID 42626317
N-[4-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
CID 130431351
N-[4-[4-(3-chloro-2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
CID 122183769
1H-indol-2-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 455444
(5-chloro-1H-indol-2-yl)[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 3972918
N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
CID 25141535
5-fluoro-N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
CID 25141538
N-[3-hydroxy-4-[4-(2-propoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
CID 42625211
N-[3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-methoxy-1H-indole-2-carboxamide
CID 42626381
[4-[2-(4-chlorophenoxy)propyl]piperazin-1-yl]-(1H-indol-2-yl)methanone
CID 72187659

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]-3-hydroxybutyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[4-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]-3-hydroxybutyl]-1H-indole-2-carboxamide (CID 130431318) is N-[4-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]-3-hydroxybutyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[4-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]-3-hydroxybutyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[4-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]-3-hydroxybutyl]-1H-indole-2-carboxamide is CCc1cc(Cl)c(OC)c(N2CCN(CC(O)CCNC(=O)c3cc4ccccc4[nH]3)CC2)c1.
What is the InChIKey of N-[4-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]-3-hydroxybutyl]-1H-indole-2-carboxamide?
The InChIKey is NRSBRNRWCATXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33ClN4O3/c1-3-18-14-21(27)25(34-2)24(15-18)31-12-10-30(11-13-31)17-20(32)8-9-28-26(33)23-16-19-6-4-5-7-22(19)29-23/h4-7,14-16,20,29,32H,3,8-13,17H2,1-2H3,(H,28,33).
What are the key properties of N-[4-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]-3-hydroxybutyl]-1H-indole-2-carboxamide?
N-[4-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]-3-hydroxybutyl]-1H-indole-2-carboxamide has a molecular weight of 485.03 g/mol, XLogP of 3.70, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-chloro-5-ethyl-2-methoxyphenyl)piperazin-1-yl]-3-hydroxybutyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 130431318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).