1-[3-(3,4-dimethylanilino)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one

C21H33N3O — CID 45211059

IUPAC1-[3-(3,4-dimethylanilino)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one
SMILESCc1ccc(NC2CCCN(C(=O)CCN3CCCCC3)C2)cc1C
InChIInChI=1S/C21H33N3O/c1-17-8-9-19(15-18(17)2)22-20-7-6-13-24(16-20)21(25)10-14-23-11-4-3-5-12-23/h8-9,15,20,22H,3-7,10-14,16H2,1-2H3
InChIKeyQOADCYVFTWHZIK-UHFFFAOYSA-N
MW343.51 g/mol
LogP3.58
Rot. Bonds5

About 1-[3-(3,4-dimethylanilino)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one

1-[3-(3,4-dimethylanilino)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one (PubChem CID 45211059) has the molecular formula C21H33N3O and a molecular weight of 343.51 g/mol. Its IUPAC name is 1-[3-(3,4-dimethylanilino)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[3-(3,4-dimethylanilino)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one
PubChem CID45211059
Molecular FormulaC21H33N3O
Molecular Weight343.51 g/mol
Exact Mass343.26
IUPAC Name1-[3-(3,4-dimethylanilino)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one
SMILESCc1ccc(NC2CCCN(C(=O)CCN3CCCCC3)C2)cc1C
InChIInChI=1S/C21H33N3O/c1-17-8-9-19(15-18(17)2)22-20-7-6-13-24(16-20)21(25)10-14-23-11-4-3-5-12-23/h8-9,15,20,22H,3-7,10-14,16H2,1-2H3
InChIKeyQOADCYVFTWHZIK-UHFFFAOYSA-N
XLogP3.58
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(3,4-dimethylanilino)piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 24819255
1-[(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 42199633
cyclopentyl-[3-(3,4-dimethylanilino)piperidin-1-yl]methanone
CID 24792136
1-[(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]-4-methylpentane-1,2-dione
CID 42199493
1-[(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 42458121
4-[(3R)-3-(3,4-dimethylanilino)piperidine-1-carbonyl]benzaldehyde
CID 42462897
N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide
CID 771569
N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide;oxalic acid
CID 171154670
(3,4-dimethoxyphenyl)-[(3R)-3-(3,4-dimethylanilino)piperidin-1-yl]methanone
CID 42509571
(3R)-3-(3,4-dimethylanilino)-N-(2,3-dimethylphenyl)piperidine-1-carboxamide
CID 42512757
1-[(3S)-3-(3,4-difluoroanilino)piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 25278796
1-[3-(3,4-difluoroanilino)piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 24819244

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-dimethylanilino)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one?
The IUPAC name of 1-[3-(3,4-dimethylanilino)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one (CID 45211059) is 1-[3-(3,4-dimethylanilino)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 1-[3-(3,4-dimethylanilino)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one?
The canonical SMILES for 1-[3-(3,4-dimethylanilino)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one is Cc1ccc(NC2CCCN(C(=O)CCN3CCCCC3)C2)cc1C.
What is the InChIKey of 1-[3-(3,4-dimethylanilino)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one?
The InChIKey is QOADCYVFTWHZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O/c1-17-8-9-19(15-18(17)2)22-20-7-6-13-24(16-20)21(25)10-14-23-11-4-3-5-12-23/h8-9,15,20,22H,3-7,10-14,16H2,1-2H3.
What are the key properties of 1-[3-(3,4-dimethylanilino)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one?
1-[3-(3,4-dimethylanilino)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one has a molecular weight of 343.51 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-dimethylanilino)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 45211059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).