1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-methylpiperidine-3-carboxamide

C23H35N3O — CID 45171232

IUPAC1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-methylpiperidine-3-carboxamide
SMILESCCN(C)C(=O)C1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1
InChIInChI=1S/C23H35N3O/c1-3-24(2)23(27)20-9-6-12-26(17-20)21-10-13-25(14-11-21)22-15-18-7-4-5-8-19(18)16-22/h4-5,7-8,20-22H,3,6,9-17H2,1-2H3
InChIKeyHCDJXPURGSBPTH-UHFFFAOYSA-N
MW369.55 g/mol
LogP2.81
Rot. Bonds4

About 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-methylpiperidine-3-carboxamide

1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-methylpiperidine-3-carboxamide (PubChem CID 45171232) has the molecular formula C23H35N3O and a molecular weight of 369.55 g/mol. Its IUPAC name is 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-methylpiperidine-3-carboxamide
PubChem CID45171232
Molecular FormulaC23H35N3O
Molecular Weight369.55 g/mol
Exact Mass369.28
IUPAC Name1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-methylpiperidine-3-carboxamide
SMILESCCN(C)C(=O)C1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1
InChIInChI=1S/C23H35N3O/c1-3-24(2)23(27)20-9-6-12-26(17-20)21-10-13-25(14-11-21)22-15-18-7-4-5-8-19(18)16-22/h4-5,7-8,20-22H,3,6,9-17H2,1-2H3
InChIKeyHCDJXPURGSBPTH-UHFFFAOYSA-N
XLogP2.81
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.55
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide
CID 45252707
1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide
CID 56873678
(3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 97135426
(3R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 97135425
(3R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 97127259
1-(1-benzylpiperidin-4-yl)-N-ethyl-N-methylpiperidine-3-carboxamide
CID 45171529
azepan-1-yl-[1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]methanone
CID 45244406
(3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(2-fluoroethyl)piperidine-3-carboxamide
CID 95463816
(3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95188241
1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[3-(methylamino)propyl]piperidine-3-carboxamide;dihydrochloride
CID 154895838
[(3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 97138323
(3-aminoazetidin-1-yl)-[1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]methanone
CID 56876998

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-methylpiperidine-3-carboxamide (CID 45171232) is 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-methylpiperidine-3-carboxamide is CCN(C)C(=O)C1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1.
What is the InChIKey of 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-methylpiperidine-3-carboxamide?
The InChIKey is HCDJXPURGSBPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O/c1-3-24(2)23(27)20-9-6-12-26(17-20)21-10-13-25(14-11-21)22-15-18-7-4-5-8-19(18)16-22/h4-5,7-8,20-22H,3,6,9-17H2,1-2H3.
What are the key properties of 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-methylpiperidine-3-carboxamide?
1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-methylpiperidine-3-carboxamide has a molecular weight of 369.55 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 45171232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).