(3-aminopiperidin-1-yl)-[4-[methyl(propyl)amino]phenyl]methanone

C16H25N3O — CID 119381942

IUPAC(3-aminopiperidin-1-yl)-[4-[methyl(propyl)amino]phenyl]methanone
SMILESCCCN(C)c1ccc(C(=O)N2CCCC(N)C2)cc1
InChIInChI=1S/C16H25N3O/c1-3-10-18(2)15-8-6-13(7-9-15)16(20)19-11-4-5-14(17)12-19/h6-9,14H,3-5,10-12,17H2,1-2H3
InChIKeyIHYONYRSWMCJNS-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.10
Rot. Bonds4

About (3-aminopiperidin-1-yl)-[4-[methyl(propyl)amino]phenyl]methanone

(3-aminopiperidin-1-yl)-[4-[methyl(propyl)amino]phenyl]methanone (PubChem CID 119381942) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-[4-[methyl(propyl)amino]phenyl]methanone.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-[4-[methyl(propyl)amino]phenyl]methanone
PubChem CID119381942
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name(3-aminopiperidin-1-yl)-[4-[methyl(propyl)amino]phenyl]methanone
SMILESCCCN(C)c1ccc(C(=O)N2CCCC(N)C2)cc1
InChIInChI=1S/C16H25N3O/c1-3-10-18(2)15-8-6-13(7-9-15)16(20)19-11-4-5-14(17)12-19/h6-9,14H,3-5,10-12,17H2,1-2H3
InChIKeyIHYONYRSWMCJNS-UHFFFAOYSA-N
XLogP2.10
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-aminopiperidin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 102983493
4-(3-aminopiperidine-1-carbonyl)-N,N-dipropylbenzenesulfonamide;hydrochloride
CID 119377266
[(3R)-3-aminopyrrolidin-1-yl]-[4-[ethyl(propyl)amino]phenyl]methanone;dihydrochloride
CID 119409534
4-(3-aminopiperidine-1-carbonyl)-N,N-diethylbenzamide;hydrochloride
CID 119380611
(4-aminopiperidin-1-yl)-[4-[butyl(methyl)amino]phenyl]methanone;dihydrochloride
CID 119374740
[3-(bromomethyl)piperidin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 80660500
[4-(ethylaminomethyl)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone
CID 119648502
[4-(methylamino)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone;dihydrochloride
CID 119564141
(2S)-1-[4-[methyl(propyl)amino]benzoyl]pyrrolidine-2-carboxylic acid
CID 119366172
(3-aminopiperidin-1-yl)-(4-tert-butylphenyl)methanone;hydrochloride
CID 75526663
(3-chloropiperidin-1-yl)-[4-(dimethylamino)phenyl]methanone
CID 63393268
N-[4-(3-aminopiperidine-1-carbonyl)phenyl]-N,4-dimethylbenzenesulfonamide;hydrochloride
CID 119380856

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-[4-[methyl(propyl)amino]phenyl]methanone?
The IUPAC name of (3-aminopiperidin-1-yl)-[4-[methyl(propyl)amino]phenyl]methanone (CID 119381942) is (3-aminopiperidin-1-yl)-[4-[methyl(propyl)amino]phenyl]methanone.
What is the SMILES notation for (3-aminopiperidin-1-yl)-[4-[methyl(propyl)amino]phenyl]methanone?
The canonical SMILES for (3-aminopiperidin-1-yl)-[4-[methyl(propyl)amino]phenyl]methanone is CCCN(C)c1ccc(C(=O)N2CCCC(N)C2)cc1.
What is the InChIKey of (3-aminopiperidin-1-yl)-[4-[methyl(propyl)amino]phenyl]methanone?
The InChIKey is IHYONYRSWMCJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-10-18(2)15-8-6-13(7-9-15)16(20)19-11-4-5-14(17)12-19/h6-9,14H,3-5,10-12,17H2,1-2H3.
What are the key properties of (3-aminopiperidin-1-yl)-[4-[methyl(propyl)amino]phenyl]methanone?
(3-aminopiperidin-1-yl)-[4-[methyl(propyl)amino]phenyl]methanone has a molecular weight of 275.40 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-[4-[methyl(propyl)amino]phenyl]methanone is sourced from PubChem (CID 119381942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).