cyclopentyl-[3-(3,4-dimethylanilino)piperidin-1-yl]methanone

C19H28N2O — CID 24792136

IUPACcyclopentyl-[3-(3,4-dimethylanilino)piperidin-1-yl]methanone
SMILESCc1ccc(NC2CCCN(C(=O)C3CCCC3)C2)cc1C
InChIInChI=1S/C19H28N2O/c1-14-9-10-17(12-15(14)2)20-18-8-5-11-21(13-18)19(22)16-6-3-4-7-16/h9-10,12,16,18,20H,3-8,11,13H2,1-2H3
InChIKeyDGFIBNXWOXGZGH-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.90
Rot. Bonds3

About cyclopentyl-[3-(3,4-dimethylanilino)piperidin-1-yl]methanone

cyclopentyl-[3-(3,4-dimethylanilino)piperidin-1-yl]methanone (PubChem CID 24792136) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is cyclopentyl-[3-(3,4-dimethylanilino)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[3-(3,4-dimethylanilino)piperidin-1-yl]methanone
PubChem CID24792136
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Namecyclopentyl-[3-(3,4-dimethylanilino)piperidin-1-yl]methanone
SMILESCc1ccc(NC2CCCN(C(=O)C3CCCC3)C2)cc1C
InChIInChI=1S/C19H28N2O/c1-14-9-10-17(12-15(14)2)20-18-8-5-11-21(13-18)19(22)16-6-3-4-7-16/h9-10,12,16,18,20H,3-8,11,13H2,1-2H3
InChIKeyDGFIBNXWOXGZGH-UHFFFAOYSA-N
XLogP3.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 42458121
cyclopropyl-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]methanone
CID 25455171
1-[3-(3,4-dimethylanilino)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one
CID 45211059
1-[(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]-4-methylpentane-1,2-dione
CID 42199493
4-[(3R)-3-(3,4-dimethylanilino)piperidine-1-carbonyl]benzaldehyde
CID 42462897
(3R)-3-(3,4-dimethylanilino)-N-(2,3-dimethylphenyl)piperidine-1-carboxamide
CID 42512757
(3,4-dimethoxyphenyl)-[(3R)-3-(3,4-dimethylanilino)piperidin-1-yl]methanone
CID 42509571
[(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 42199059
N-(2,4-dimethoxyphenyl)-3-(3,4-dimethylanilino)piperidine-1-carboxamide
CID 45245331
1-[(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 42199633
1-[3-(3,4-dimethylanilino)piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 24819255
1-[4-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 45235641

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[3-(3,4-dimethylanilino)piperidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[3-(3,4-dimethylanilino)piperidin-1-yl]methanone (CID 24792136) is cyclopentyl-[3-(3,4-dimethylanilino)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[3-(3,4-dimethylanilino)piperidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[3-(3,4-dimethylanilino)piperidin-1-yl]methanone is Cc1ccc(NC2CCCN(C(=O)C3CCCC3)C2)cc1C.
What is the InChIKey of cyclopentyl-[3-(3,4-dimethylanilino)piperidin-1-yl]methanone?
The InChIKey is DGFIBNXWOXGZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-14-9-10-17(12-15(14)2)20-18-8-5-11-21(13-18)19(22)16-6-3-4-7-16/h9-10,12,16,18,20H,3-8,11,13H2,1-2H3.
What are the key properties of cyclopentyl-[3-(3,4-dimethylanilino)piperidin-1-yl]methanone?
cyclopentyl-[3-(3,4-dimethylanilino)piperidin-1-yl]methanone has a molecular weight of 300.45 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[3-(3,4-dimethylanilino)piperidin-1-yl]methanone is sourced from PubChem (CID 24792136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).