(3-aminopiperidin-1-yl)-[3,4-dimethyl-5-(propylamino)phenyl]methanone

C17H27N3O — CID 162730501

IUPAC(3-aminopiperidin-1-yl)-[3,4-dimethyl-5-(propylamino)phenyl]methanone
SMILESCCCNc1cc(C(=O)N2CCCC(N)C2)cc(C)c1C
InChIInChI=1S/C17H27N3O/c1-4-7-19-16-10-14(9-12(2)13(16)3)17(21)20-8-5-6-15(18)11-20/h9-10,15,19H,4-8,11,18H2,1-3H3
InChIKeyWDFSXZLTOBWJBS-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.69
Rot. Bonds4

About (3-aminopiperidin-1-yl)-[3,4-dimethyl-5-(propylamino)phenyl]methanone

(3-aminopiperidin-1-yl)-[3,4-dimethyl-5-(propylamino)phenyl]methanone (PubChem CID 162730501) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-[3,4-dimethyl-5-(propylamino)phenyl]methanone.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-[3,4-dimethyl-5-(propylamino)phenyl]methanone
PubChem CID162730501
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name(3-aminopiperidin-1-yl)-[3,4-dimethyl-5-(propylamino)phenyl]methanone
SMILESCCCNc1cc(C(=O)N2CCCC(N)C2)cc(C)c1C
InChIInChI=1S/C17H27N3O/c1-4-7-19-16-10-14(9-12(2)13(16)3)17(21)20-8-5-6-15(18)11-20/h9-10,15,19H,4-8,11,18H2,1-3H3
InChIKeyWDFSXZLTOBWJBS-UHFFFAOYSA-N
XLogP2.69
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminopiperidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride
CID 119381443
3-(3-aminopiperidine-1-carbonyl)-N-propylbenzamide
CID 119377560
(3-aminopiperidin-1-yl)-(4-methyl-3-methylsulfonylphenyl)methanone;hydrochloride
CID 119378692
5-[(3R)-3-aminopyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
CID 119412777
(3-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone
CID 61297571
[3-methyl-4-(propylamino)phenyl]-(3-methylpyrrolidin-1-yl)methanone
CID 63213608
3-amino-N-propylpiperidine-1-carboxamide
CID 61295715
2-(3-aminopiperidine-1-carbonyl)-3,6-dimethylbenzoic acid
CID 103428976
(3-aminopiperidin-1-yl)-(3,5-dimethoxyphenyl)methanone;hydrochloride
CID 119377142
(3-aminopyrrolidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride
CID 119483089
(3-aminopiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone
CID 106752260
methyl 3-(3-aminopiperidine-1-carbonyl)-5-hydroxybenzoate;hydrochloride
CID 154907673

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-[3,4-dimethyl-5-(propylamino)phenyl]methanone?
The IUPAC name of (3-aminopiperidin-1-yl)-[3,4-dimethyl-5-(propylamino)phenyl]methanone (CID 162730501) is (3-aminopiperidin-1-yl)-[3,4-dimethyl-5-(propylamino)phenyl]methanone.
What is the SMILES notation for (3-aminopiperidin-1-yl)-[3,4-dimethyl-5-(propylamino)phenyl]methanone?
The canonical SMILES for (3-aminopiperidin-1-yl)-[3,4-dimethyl-5-(propylamino)phenyl]methanone is CCCNc1cc(C(=O)N2CCCC(N)C2)cc(C)c1C.
What is the InChIKey of (3-aminopiperidin-1-yl)-[3,4-dimethyl-5-(propylamino)phenyl]methanone?
The InChIKey is WDFSXZLTOBWJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-7-19-16-10-14(9-12(2)13(16)3)17(21)20-8-5-6-15(18)11-20/h9-10,15,19H,4-8,11,18H2,1-3H3.
What are the key properties of (3-aminopiperidin-1-yl)-[3,4-dimethyl-5-(propylamino)phenyl]methanone?
(3-aminopiperidin-1-yl)-[3,4-dimethyl-5-(propylamino)phenyl]methanone has a molecular weight of 289.42 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-[3,4-dimethyl-5-(propylamino)phenyl]methanone is sourced from PubChem (CID 162730501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).