(3R)-N-[(1-benzyl-4-chloroindol-3-yl)methyl]-N-cyclopropylpiperidine-3-carboxamide

C25H28ClN3O — CID 70953010

IUPAC(3R)-N-[(1-benzyl-4-chloroindol-3-yl)methyl]-N-cyclopropylpiperidine-3-carboxamide
SMILESO=C([C@@H]1CCCNC1)N(Cc1cn(Cc2ccccc2)c2cccc(Cl)c12)C1CC1
InChIInChI=1S/C25H28ClN3O/c26-22-9-4-10-23-24(22)20(16-28(23)15-18-6-2-1-3-7-18)17-29(21-11-12-21)25(30)19-8-5-13-27-14-19/h1-4,6-7,9-10,16,19,21,27H,5,8,11-15,17H2/t19-/m1/s1
InChIKeyWRBWUGKAIWJYDV-LJQANCHMSA-N
MW421.97 g/mol
LogP4.83
Rot. Bonds6

About (3R)-N-[(1-benzyl-4-chloroindol-3-yl)methyl]-N-cyclopropylpiperidine-3-carboxamide

(3R)-N-[(1-benzyl-4-chloroindol-3-yl)methyl]-N-cyclopropylpiperidine-3-carboxamide (PubChem CID 70953010) has the molecular formula C25H28ClN3O and a molecular weight of 421.97 g/mol. Its IUPAC name is (3R)-N-[(1-benzyl-4-chloroindol-3-yl)methyl]-N-cyclopropylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1-benzyl-4-chloroindol-3-yl)methyl]-N-cyclopropylpiperidine-3-carboxamide
PubChem CID70953010
Molecular FormulaC25H28ClN3O
Molecular Weight421.97 g/mol
Exact Mass421.19
IUPAC Name(3R)-N-[(1-benzyl-4-chloroindol-3-yl)methyl]-N-cyclopropylpiperidine-3-carboxamide
SMILESO=C([C@@H]1CCCNC1)N(Cc1cn(Cc2ccccc2)c2cccc(Cl)c12)C1CC1
InChIInChI=1S/C25H28ClN3O/c26-22-9-4-10-23-24(22)20(16-28(23)15-18-6-2-1-3-7-18)17-29(21-11-12-21)25(30)19-8-5-13-27-14-19/h1-4,6-7,9-10,16,19,21,27H,5,8,11-15,17H2/t19-/m1/s1
InChIKeyWRBWUGKAIWJYDV-LJQANCHMSA-N
XLogP4.83
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.97
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4S)-N-[(1-benzyl-4-methylindol-3-yl)methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 58170874
(3R)-N-[(2-bromophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide
CID 81128811
(3S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 81128664
N-[(3-bromophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide;hydrochloride
CID 119284886
(3R,4S)-N-[(1-benzylindol-3-yl)methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 58170861
(3S)-N-cyclopropyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 81129166
N-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 60937275
N,N-dibenzylpiperidine-3-carboxamide;hydrochloride
CID 119261732
N-cyclopropyl-N-[[4-fluoro-1-(pyridin-3-ylmethyl)indol-3-yl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 67061971
4-chloro-1-(piperidin-3-ylmethyl)indole-3-carboxamide
CID 145106745
(3R)-N-cyclopropyl-N-[[3-(2-methoxyethyl)naphthalen-1-yl]methyl]piperidine-3-carboxamide
CID 70952975
N-cyclopropyl-N-[[1-[(3-methoxyphenyl)methyl]indol-3-yl]methyl]morpholine-2-carboxamide
CID 59494835

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1-benzyl-4-chloroindol-3-yl)methyl]-N-cyclopropylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(1-benzyl-4-chloroindol-3-yl)methyl]-N-cyclopropylpiperidine-3-carboxamide (CID 70953010) is (3R)-N-[(1-benzyl-4-chloroindol-3-yl)methyl]-N-cyclopropylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(1-benzyl-4-chloroindol-3-yl)methyl]-N-cyclopropylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(1-benzyl-4-chloroindol-3-yl)methyl]-N-cyclopropylpiperidine-3-carboxamide is O=C([C@@H]1CCCNC1)N(Cc1cn(Cc2ccccc2)c2cccc(Cl)c12)C1CC1.
What is the InChIKey of (3R)-N-[(1-benzyl-4-chloroindol-3-yl)methyl]-N-cyclopropylpiperidine-3-carboxamide?
The InChIKey is WRBWUGKAIWJYDV-LJQANCHMSA-N. The full InChI is InChI=1S/C25H28ClN3O/c26-22-9-4-10-23-24(22)20(16-28(23)15-18-6-2-1-3-7-18)17-29(21-11-12-21)25(30)19-8-5-13-27-14-19/h1-4,6-7,9-10,16,19,21,27H,5,8,11-15,17H2/t19-/m1/s1.
What are the key properties of (3R)-N-[(1-benzyl-4-chloroindol-3-yl)methyl]-N-cyclopropylpiperidine-3-carboxamide?
(3R)-N-[(1-benzyl-4-chloroindol-3-yl)methyl]-N-cyclopropylpiperidine-3-carboxamide has a molecular weight of 421.97 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1-benzyl-4-chloroindol-3-yl)methyl]-N-cyclopropylpiperidine-3-carboxamide is sourced from PubChem (CID 70953010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).