(2,3-dimethylpiperidin-1-yl)-[4-(propylamino)phenyl]methanone

C17H26N2O — CID 62179694

IUPAC(2,3-dimethylpiperidin-1-yl)-[4-(propylamino)phenyl]methanone
SMILESCCCNc1ccc(C(=O)N2CCCC(C)C2C)cc1
InChIInChI=1S/C17H26N2O/c1-4-11-18-16-9-7-15(8-10-16)17(20)19-12-5-6-13(2)14(19)3/h7-10,13-14,18H,4-6,11-12H2,1-3H3
InChIKeyTZXNOZJGSUQXGB-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.77
Rot. Bonds4

About (2,3-dimethylpiperidin-1-yl)-[4-(propylamino)phenyl]methanone

(2,3-dimethylpiperidin-1-yl)-[4-(propylamino)phenyl]methanone (PubChem CID 62179694) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is (2,3-dimethylpiperidin-1-yl)-[4-(propylamino)phenyl]methanone.

Molecular Properties

Compound Name(2,3-dimethylpiperidin-1-yl)-[4-(propylamino)phenyl]methanone
PubChem CID62179694
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name(2,3-dimethylpiperidin-1-yl)-[4-(propylamino)phenyl]methanone
SMILESCCCNc1ccc(C(=O)N2CCCC(C)C2C)cc1
InChIInChI=1S/C17H26N2O/c1-4-11-18-16-9-7-15(8-10-16)17(20)19-12-5-6-13(2)14(19)3/h7-10,13-14,18H,4-6,11-12H2,1-3H3
InChIKeyTZXNOZJGSUQXGB-UHFFFAOYSA-N
XLogP3.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-dimethylpiperidin-1-yl)-[2-(propylamino)-4-pyridinyl]methanone
CID 62181812
(4-methylazepan-1-yl)-[4-(propylamino)phenyl]methanone
CID 63626184
(2,3-dimethylpiperidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone
CID 62659970
(3-methylpyrrolidin-1-yl)-[4-(propylamino)phenyl]methanone
CID 62179564
5-(2,3-dimethylpiperidine-1-carbonyl)-2-methylbenzenesulfonamide
CID 65386146
(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-[4-(propylamino)phenyl]methanone
CID 102886340
[4-(butylamino)phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 15951002
(3,4-dimethylpiperazin-1-yl)-[4-(propylamino)phenyl]methanone
CID 63605486
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[4-(propylamino)phenyl]methanone
CID 79933698
N-(2-methylcyclopentyl)-4-(propylamino)benzamide
CID 63279400
[4-(propylamino)phenyl]-(4-propylpiperidin-1-yl)methanone
CID 62205102
(4-cyclopropylpiperazin-1-yl)-[4-(propylamino)phenyl]methanone
CID 62178193

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylpiperidin-1-yl)-[4-(propylamino)phenyl]methanone?
The IUPAC name of (2,3-dimethylpiperidin-1-yl)-[4-(propylamino)phenyl]methanone (CID 62179694) is (2,3-dimethylpiperidin-1-yl)-[4-(propylamino)phenyl]methanone.
What is the SMILES notation for (2,3-dimethylpiperidin-1-yl)-[4-(propylamino)phenyl]methanone?
The canonical SMILES for (2,3-dimethylpiperidin-1-yl)-[4-(propylamino)phenyl]methanone is CCCNc1ccc(C(=O)N2CCCC(C)C2C)cc1.
What is the InChIKey of (2,3-dimethylpiperidin-1-yl)-[4-(propylamino)phenyl]methanone?
The InChIKey is TZXNOZJGSUQXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-11-18-16-9-7-15(8-10-16)17(20)19-12-5-6-13(2)14(19)3/h7-10,13-14,18H,4-6,11-12H2,1-3H3.
What are the key properties of (2,3-dimethylpiperidin-1-yl)-[4-(propylamino)phenyl]methanone?
(2,3-dimethylpiperidin-1-yl)-[4-(propylamino)phenyl]methanone has a molecular weight of 274.41 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylpiperidin-1-yl)-[4-(propylamino)phenyl]methanone is sourced from PubChem (CID 62179694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).