3-chloro-N-[(1R)-1-phenyl-2-(2-piperidin-4-ylethoxy)ethyl]-1H-indole-6-carboxamide

C24H28ClN3O2 — CID 69309605

IUPAC3-chloro-N-[(1R)-1-phenyl-2-(2-piperidin-4-ylethoxy)ethyl]-1H-indole-6-carboxamide
SMILESO=C(N[C@@H](COCCC1CCNCC1)c1ccccc1)c1ccc2c(Cl)c[nH]c2c1
InChIInChI=1S/C24H28ClN3O2/c25-21-15-27-22-14-19(6-7-20(21)22)24(29)28-23(18-4-2-1-3-5-18)16-30-13-10-17-8-11-26-12-9-17/h1-7,14-15,17,23,26-27H,8-13,16H2,(H,28,29)/t23-/m0/s1
InChIKeyYENNXPIUNBHQGM-QHCPKHFHSA-N
MW425.96 g/mol
LogP4.70
Rot. Bonds8

About 3-chloro-N-[(1R)-1-phenyl-2-(2-piperidin-4-ylethoxy)ethyl]-1H-indole-6-carboxamide

3-chloro-N-[(1R)-1-phenyl-2-(2-piperidin-4-ylethoxy)ethyl]-1H-indole-6-carboxamide (PubChem CID 69309605) has the molecular formula C24H28ClN3O2 and a molecular weight of 425.96 g/mol. Its IUPAC name is 3-chloro-N-[(1R)-1-phenyl-2-(2-piperidin-4-ylethoxy)ethyl]-1H-indole-6-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(1R)-1-phenyl-2-(2-piperidin-4-ylethoxy)ethyl]-1H-indole-6-carboxamide
PubChem CID69309605
Molecular FormulaC24H28ClN3O2
Molecular Weight425.96 g/mol
Exact Mass425.19
IUPAC Name3-chloro-N-[(1R)-1-phenyl-2-(2-piperidin-4-ylethoxy)ethyl]-1H-indole-6-carboxamide
SMILESO=C(N[C@@H](COCCC1CCNCC1)c1ccccc1)c1ccc2c(Cl)c[nH]c2c1
InChIInChI=1S/C24H28ClN3O2/c25-21-15-27-22-14-19(6-7-20(21)22)24(29)28-23(18-4-2-1-3-5-18)16-30-13-10-17-8-11-26-12-9-17/h1-7,14-15,17,23,26-27H,8-13,16H2,(H,28,29)/t23-/m0/s1
InChIKeyYENNXPIUNBHQGM-QHCPKHFHSA-N
XLogP4.70
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.96
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-[[(2S)-2-[(3-chloro-1H-indole-6-carbonyl)amino]-2-phenylethoxy]methyl]piperidine-1-carboxylate
CID 69310756
tert-butyl 4-[[2-[(3-chloro-1H-indole-6-carbonyl)amino]-2-(4-fluorophenyl)ethoxy]methyl]piperidine-1-carboxylate
CID 69307946
3-chloro-N-piperidin-4-yl-1H-indole-6-carboxamide
CID 18453185
3-chloro-N-[(1R)-1-phenyl-2-[(1-propan-2-ylpiperidin-1-ium-1-carbonyl)amino]ethyl]-1H-indole-6-carboxamide
CID 20790082
2-piperidin-4-ylethyl (2R)-2-[(3-carbamimidoylbenzoyl)amino]-2-phenylacetate
CID 11811639
N-(2-methoxy-1-phenylethyl)piperidine-4-carboxamide
CID 119315130
N-(2-methoxy-1-phenylethyl)piperidine-4-carboxamide;hydrochloride
CID 119315129
3-chloro-6-(piperidin-4-ylmethyl)-1H-indole
CID 84803651
2-(2-cyclopropylethoxy)-N-ethyl-1-phenylethanamine
CID 106200509
ethyl (2R)-2-[[3,5-dichloro-2-hydroxy-4-(2-piperidin-4-ylethoxy)benzoyl]amino]-3-phenylpropanoate
CID 59901922
5-chloro-N-[1-(2-chlorophenyl)-2-(piperidin-4-ylmethoxy)ethyl]-1H-indole-2-carboxamide
CID 69309648
3-ethyl-N-(2-methoxy-1-phenylethyl)-2H-indazole-5-carboxamide
CID 123173183

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1R)-1-phenyl-2-(2-piperidin-4-ylethoxy)ethyl]-1H-indole-6-carboxamide?
The IUPAC name of 3-chloro-N-[(1R)-1-phenyl-2-(2-piperidin-4-ylethoxy)ethyl]-1H-indole-6-carboxamide (CID 69309605) is 3-chloro-N-[(1R)-1-phenyl-2-(2-piperidin-4-ylethoxy)ethyl]-1H-indole-6-carboxamide.
What is the SMILES notation for 3-chloro-N-[(1R)-1-phenyl-2-(2-piperidin-4-ylethoxy)ethyl]-1H-indole-6-carboxamide?
The canonical SMILES for 3-chloro-N-[(1R)-1-phenyl-2-(2-piperidin-4-ylethoxy)ethyl]-1H-indole-6-carboxamide is O=C(N[C@@H](COCCC1CCNCC1)c1ccccc1)c1ccc2c(Cl)c[nH]c2c1.
What is the InChIKey of 3-chloro-N-[(1R)-1-phenyl-2-(2-piperidin-4-ylethoxy)ethyl]-1H-indole-6-carboxamide?
The InChIKey is YENNXPIUNBHQGM-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H28ClN3O2/c25-21-15-27-22-14-19(6-7-20(21)22)24(29)28-23(18-4-2-1-3-5-18)16-30-13-10-17-8-11-26-12-9-17/h1-7,14-15,17,23,26-27H,8-13,16H2,(H,28,29)/t23-/m0/s1.
What are the key properties of 3-chloro-N-[(1R)-1-phenyl-2-(2-piperidin-4-ylethoxy)ethyl]-1H-indole-6-carboxamide?
3-chloro-N-[(1R)-1-phenyl-2-(2-piperidin-4-ylethoxy)ethyl]-1H-indole-6-carboxamide has a molecular weight of 425.96 g/mol, XLogP of 4.70, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1R)-1-phenyl-2-(2-piperidin-4-ylethoxy)ethyl]-1H-indole-6-carboxamide is sourced from PubChem (CID 69309605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).