4-(3-anilinopiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide

C20H30N4O2 — CID 45219648

IUPAC4-(3-anilinopiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)N2CCCC(Nc3ccccc3)C2)CC1
InChIInChI=1S/C20H30N4O2/c1-22(2)20(26)23-13-10-16(11-14-23)19(25)24-12-6-9-18(15-24)21-17-7-4-3-5-8-17/h3-5,7-8,16,18,21H,6,9-15H2,1-2H3
InChIKeyLFHOMBKLRBJKAY-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.48
Rot. Bonds3

About 4-(3-anilinopiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide

4-(3-anilinopiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 45219648) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 4-(3-anilinopiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3-anilinopiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide
PubChem CID45219648
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name4-(3-anilinopiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)N2CCCC(Nc3ccccc3)C2)CC1
InChIInChI=1S/C20H30N4O2/c1-22(2)20(26)23-13-10-16(11-14-23)19(25)24-12-6-9-18(15-24)21-17-7-4-3-5-8-17/h3-5,7-8,16,18,21H,6,9-15H2,1-2H3
InChIKeyLFHOMBKLRBJKAY-UHFFFAOYSA-N
XLogP2.48
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-anilinopyrrolidin-1-yl)-cyclopropylmethanone
CID 134813424
1-[4-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 45235641
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 42119873
1-(3-anilinopiperidin-1-yl)-2-cyclopropylpropan-1-one
CID 136516150
N,N-dimethyl-4-[(3S)-3-(2-methylphenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide
CID 95293027
[(3S)-3-anilinopiperidin-1-yl]-(2,4,5-trimethylphenyl)methanone
CID 95713283
1-(3-anilinopiperidin-1-yl)-2-(methylamino)ethanone;hydrochloride
CID 120705047
tert-butyl (3R)-3-anilinopiperidine-1-carboxylate
CID 34179257
4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-benzyl-N-methylpiperidine-1-carboxamide
CID 119596833
1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 46653762
cyclopentyl-[3-(3,4-dimethylanilino)piperidin-1-yl]methanone
CID 24792136
4-[3-(hydroxymethyl)piperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
CID 43589568

Frequently Asked Questions

What is the IUPAC name of 4-(3-anilinopiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 4-(3-anilinopiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide (CID 45219648) is 4-(3-anilinopiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(3-anilinopiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 4-(3-anilinopiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide is CN(C)C(=O)N1CCC(C(=O)N2CCCC(Nc3ccccc3)C2)CC1.
What is the InChIKey of 4-(3-anilinopiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is LFHOMBKLRBJKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-22(2)20(26)23-13-10-16(11-14-23)19(25)24-12-6-9-18(15-24)21-17-7-4-3-5-8-17/h3-5,7-8,16,18,21H,6,9-15H2,1-2H3.
What are the key properties of 4-(3-anilinopiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide?
4-(3-anilinopiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 358.49 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-anilinopiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 45219648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).