N-(1-benzylpiperidin-4-yl)-5-chloro-1H-indole-2-carboxamide

C21H22ClN3O — CID 2814764

IUPACN-(1-benzylpiperidin-4-yl)-5-chloro-1H-indole-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C21H22ClN3O/c22-17-6-7-19-16(12-17)13-20(24-19)21(26)23-18-8-10-25(11-9-18)14-15-4-2-1-3-5-15/h1-7,12-13,18,24H,8-11,14H2,(H,23,26)
InChIKeyBRZHLGKODJQLIE-UHFFFAOYSA-N
MW367.88 g/mol
LogP4.22
Rot. Bonds4

About N-(1-benzylpiperidin-4-yl)-5-chloro-1H-indole-2-carboxamide

N-(1-benzylpiperidin-4-yl)-5-chloro-1H-indole-2-carboxamide (PubChem CID 2814764) has the molecular formula C21H22ClN3O and a molecular weight of 367.88 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-5-chloro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-5-chloro-1H-indole-2-carboxamide
PubChem CID2814764
Molecular FormulaC21H22ClN3O
Molecular Weight367.88 g/mol
Exact Mass367.15
IUPAC NameN-(1-benzylpiperidin-4-yl)-5-chloro-1H-indole-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C21H22ClN3O/c22-17-6-7-19-16(12-17)13-20(24-19)21(26)23-18-8-10-25(11-9-18)14-15-4-2-1-3-5-15/h1-7,12-13,18,24H,8-11,14H2,(H,23,26)
InChIKeyBRZHLGKODJQLIE-UHFFFAOYSA-N
XLogP4.22
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-cyclopropyl-1H-indole-2-carboxamide
CID 53016250
N-(1-benzylpiperidin-4-yl)-6-chloro-4-(2,4-dichlorophenyl)sulfanyl-1H-indole-2-carboxamide
CID 147005867
4-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide
CID 18121095
(2S,3R)-3-[(5-chloro-1H-indole-2-carbonyl)amino]-2-hydroxy-4-phenylbutanoic acid
CID 10809326
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317
N-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide
CID 164635055
N-[(3R)-1-benzylpyrrolidin-3-yl]-5-chloro-3-ethyl-1H-indole-2-carboxamide
CID 91827723
N-(1-benzylpyrrolidin-3-yl)-5-chloro-2-fluorobenzamide
CID 18156432
N-(1-benzylpiperidin-4-yl)-7-chloro-2-phenylquinoline-4-carboxamide
CID 86272150
N-(1-benzylpiperidin-4-yl)-3,5-dichloro-2-iodobenzamide
CID 26691477
N-(1-benzylpiperidin-4-yl)-2-(5-chloro-2-thiophen-2-ylindol-1-yl)acetamide
CID 53023077
N-(1-benzylpiperidin-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 136666398

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-5-chloro-1H-indole-2-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-5-chloro-1H-indole-2-carboxamide (CID 2814764) is N-(1-benzylpiperidin-4-yl)-5-chloro-1H-indole-2-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-5-chloro-1H-indole-2-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-5-chloro-1H-indole-2-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-5-chloro-1H-indole-2-carboxamide?
The InChIKey is BRZHLGKODJQLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O/c22-17-6-7-19-16(12-17)13-20(24-19)21(26)23-18-8-10-25(11-9-18)14-15-4-2-1-3-5-15/h1-7,12-13,18,24H,8-11,14H2,(H,23,26).
What are the key properties of N-(1-benzylpiperidin-4-yl)-5-chloro-1H-indole-2-carboxamide?
N-(1-benzylpiperidin-4-yl)-5-chloro-1H-indole-2-carboxamide has a molecular weight of 367.88 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-5-chloro-1H-indole-2-carboxamide is sourced from PubChem (CID 2814764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).