1-methyl-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]-2,3-dihydro-1H-indene-2-carboxamide

C23H29N3O — CID 166296337

IUPAC1-methyl-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]-2,3-dihydro-1H-indene-2-carboxamide
SMILESCC1c2ccccc2CC1C(=O)NC1CCN(C(C)c2ccncc2)CC1
InChIInChI=1S/C23H29N3O/c1-16-21-6-4-3-5-19(21)15-22(16)23(27)25-20-9-13-26(14-10-20)17(2)18-7-11-24-12-8-18/h3-8,11-12,16-17,20,22H,9-10,13-15H2,1-2H3,(H,25,27)
InChIKeyQYJBXJMWMVVWDC-UHFFFAOYSA-N
MW363.50 g/mol
LogP3.70
Rot. Bonds4

About 1-methyl-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]-2,3-dihydro-1H-indene-2-carboxamide

1-methyl-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 166296337) has the molecular formula C23H29N3O and a molecular weight of 363.50 g/mol. Its IUPAC name is 1-methyl-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID166296337
Molecular FormulaC23H29N3O
Molecular Weight363.50 g/mol
Exact Mass363.23
IUPAC Name1-methyl-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]-2,3-dihydro-1H-indene-2-carboxamide
SMILESCC1c2ccccc2CC1C(=O)NC1CCN(C(C)c2ccncc2)CC1
InChIInChI=1S/C23H29N3O/c1-16-21-6-4-3-5-19(21)15-22(16)23(27)25-20-9-13-26(14-10-20)17(2)18-7-11-24-12-8-18/h3-8,11-12,16-17,20,22H,9-10,13-15H2,1-2H3,(H,25,27)
InChIKeyQYJBXJMWMVVWDC-UHFFFAOYSA-N
XLogP3.70
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]-2,3-dihydro-1H-indene-2-carboxamide with MolForge

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Related Compounds

2-hydroxy-N-[1-(1-phenylethyl)piperidin-4-yl]cyclopentane-1-carboxamide
CID 110014648
2,5-dimethyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]benzamide
CID 124591552
(2R,5S)-2,5-dimethyl-N-[1-[(1R)-1-pyridin-4-ylethyl]piperidin-4-yl]morpholine-4-carboxamide
CID 124777293
4,4-difluoro-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 120955109
1-methyl-1-(2-methylprop-2-enyl)-3-[1-[(1R)-1-pyridin-4-ylethyl]piperidin-4-yl]urea
CID 124615698
1-methyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea
CID 167954900
N-ethyl-1-(1-pyridin-4-ylethyl)piperidin-4-amine
CID 60860637
1-(5-fluoro-2-pyridinyl)-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea
CID 126793193
(2S,4S)-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]piperidine-4-carboxamide;hydrochloride
CID 120636947
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]acetamide
CID 166231856
3-amino-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]butanamide
CID 120503779
4-fluoro-3-methyl-N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-1-benzothiophene-2-carboxamide
CID 124591472

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of 1-methyl-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]-2,3-dihydro-1H-indene-2-carboxamide (CID 166296337) is 1-methyl-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for 1-methyl-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]-2,3-dihydro-1H-indene-2-carboxamide is CC1c2ccccc2CC1C(=O)NC1CCN(C(C)c2ccncc2)CC1.
What is the InChIKey of 1-methyl-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is QYJBXJMWMVVWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-16-21-6-4-3-5-19(21)15-22(16)23(27)25-20-9-13-26(14-10-20)17(2)18-7-11-24-12-8-18/h3-8,11-12,16-17,20,22H,9-10,13-15H2,1-2H3,(H,25,27).
What are the key properties of 1-methyl-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]-2,3-dihydro-1H-indene-2-carboxamide?
1-methyl-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 363.50 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 166296337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).