N-(1-benzylpiperidin-3-yl)-2-methyl-2,3-dihydroindole-1-carboxamide

C22H27N3O — CID 112824331

IUPACN-(1-benzylpiperidin-3-yl)-2-methyl-2,3-dihydroindole-1-carboxamide
SMILESCC1Cc2ccccc2N1C(=O)NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C22H27N3O/c1-17-14-19-10-5-6-12-21(19)25(17)22(26)23-20-11-7-13-24(16-20)15-18-8-3-2-4-9-18/h2-6,8-10,12,17,20H,7,11,13-16H2,1H3,(H,23,26)
InChIKeyUHHISVQRZBVMLX-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.81
Rot. Bonds3

About N-(1-benzylpiperidin-3-yl)-2-methyl-2,3-dihydroindole-1-carboxamide

N-(1-benzylpiperidin-3-yl)-2-methyl-2,3-dihydroindole-1-carboxamide (PubChem CID 112824331) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is N-(1-benzylpiperidin-3-yl)-2-methyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-3-yl)-2-methyl-2,3-dihydroindole-1-carboxamide
PubChem CID112824331
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC NameN-(1-benzylpiperidin-3-yl)-2-methyl-2,3-dihydroindole-1-carboxamide
SMILESCC1Cc2ccccc2N1C(=O)NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C22H27N3O/c1-17-14-19-10-5-6-12-21(19)25(17)22(26)23-20-11-7-13-24(16-20)15-18-8-3-2-4-9-18/h2-6,8-10,12,17,20H,7,11,13-16H2,1H3,(H,23,26)
InChIKeyUHHISVQRZBVMLX-UHFFFAOYSA-N
XLogP3.81
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
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CID 60756097
(2S)-2-amino-N-(1-benzylpiperidin-3-yl)butanamide
CID 79022762
3-amino-N-(1-benzylpiperidin-3-yl)butanamide;dihydrochloride
CID 119856024
1-benzyl-3-[(3S)-1-benzylpiperidin-3-yl]urea
CID 51941035
N-(1-benzylpiperidin-3-yl)-3-phenylpropanamide
CID 42958724
N-(1-benzylpiperidin-3-yl)-2-methylbenzamide
CID 42958722
N-(1-benzylpiperidin-3-yl)-2-(propan-2-ylamino)acetamide
CID 64590485
(2R)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 95640677
(2S)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 7549116
(3S)-N-[(3R)-1-benzylpiperidin-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 95136177

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-3-yl)-2-methyl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-3-yl)-2-methyl-2,3-dihydroindole-1-carboxamide (CID 112824331) is N-(1-benzylpiperidin-3-yl)-2-methyl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-3-yl)-2-methyl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-3-yl)-2-methyl-2,3-dihydroindole-1-carboxamide is CC1Cc2ccccc2N1C(=O)NC1CCCN(Cc2ccccc2)C1.
What is the InChIKey of N-(1-benzylpiperidin-3-yl)-2-methyl-2,3-dihydroindole-1-carboxamide?
The InChIKey is UHHISVQRZBVMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-17-14-19-10-5-6-12-21(19)25(17)22(26)23-20-11-7-13-24(16-20)15-18-8-3-2-4-9-18/h2-6,8-10,12,17,20H,7,11,13-16H2,1H3,(H,23,26).
What are the key properties of N-(1-benzylpiperidin-3-yl)-2-methyl-2,3-dihydroindole-1-carboxamide?
N-(1-benzylpiperidin-3-yl)-2-methyl-2,3-dihydroindole-1-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-3-yl)-2-methyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 112824331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).