[4-(propylamino)phenyl]-(4-propylpiperidin-1-yl)methanone

C18H28N2O — CID 62205102

IUPAC[4-(propylamino)phenyl]-(4-propylpiperidin-1-yl)methanone
SMILESCCCNc1ccc(C(=O)N2CCC(CCC)CC2)cc1
InChIInChI=1S/C18H28N2O/c1-3-5-15-10-13-20(14-11-15)18(21)16-6-8-17(9-7-16)19-12-4-2/h6-9,15,19H,3-5,10-14H2,1-2H3
InChIKeyGLLUIIONPZOLFD-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.16
Rot. Bonds6

About [4-(propylamino)phenyl]-(4-propylpiperidin-1-yl)methanone

[4-(propylamino)phenyl]-(4-propylpiperidin-1-yl)methanone (PubChem CID 62205102) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is [4-(propylamino)phenyl]-(4-propylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(propylamino)phenyl]-(4-propylpiperidin-1-yl)methanone
PubChem CID62205102
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name[4-(propylamino)phenyl]-(4-propylpiperidin-1-yl)methanone
SMILESCCCNc1ccc(C(=O)N2CCC(CCC)CC2)cc1
InChIInChI=1S/C18H28N2O/c1-3-5-15-10-13-20(14-11-15)18(21)16-6-8-17(9-7-16)19-12-4-2/h6-9,15,19H,3-5,10-14H2,1-2H3
InChIKeyGLLUIIONPZOLFD-UHFFFAOYSA-N
XLogP4.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-hydrazinylphenyl)-(4-propylpiperidin-1-yl)methanone
CID 62243172
(3-methylpyrrolidin-1-yl)-[4-(propylamino)phenyl]methanone
CID 62179564
[3-(methoxymethyl)pyrrolidin-1-yl]-[4-(propylamino)phenyl]methanone
CID 64583564
(4-methylazepan-1-yl)-[4-(propylamino)phenyl]methanone
CID 63626184
(4-cyclopropylpiperazin-1-yl)-[4-(propylamino)phenyl]methanone
CID 62178193
[4-(ethylamino)phenyl]-(4-ethylpiperidin-1-yl)methanone
CID 62177623
4-(3-propylpyrrolidine-1-carbonyl)benzoic acid
CID 112700698
(4-tert-butylpiperidin-1-yl)-[4-(ethylamino)phenyl]methanone
CID 62179529
[4-(propylamino)phenyl]-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 114540449
(2,6-dimethylmorpholin-4-yl)-[4-(propylamino)phenyl]methanone
CID 62170653
(3,5-dibromophenyl)-(4-propylpiperidin-1-yl)methanone
CID 107980414
(3,4-dimethylpiperazin-1-yl)-[4-(propylamino)phenyl]methanone
CID 63605486

Frequently Asked Questions

What is the IUPAC name of [4-(propylamino)phenyl]-(4-propylpiperidin-1-yl)methanone?
The IUPAC name of [4-(propylamino)phenyl]-(4-propylpiperidin-1-yl)methanone (CID 62205102) is [4-(propylamino)phenyl]-(4-propylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-(propylamino)phenyl]-(4-propylpiperidin-1-yl)methanone?
The canonical SMILES for [4-(propylamino)phenyl]-(4-propylpiperidin-1-yl)methanone is CCCNc1ccc(C(=O)N2CCC(CCC)CC2)cc1.
What is the InChIKey of [4-(propylamino)phenyl]-(4-propylpiperidin-1-yl)methanone?
The InChIKey is GLLUIIONPZOLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-5-15-10-13-20(14-11-15)18(21)16-6-8-17(9-7-16)19-12-4-2/h6-9,15,19H,3-5,10-14H2,1-2H3.
What are the key properties of [4-(propylamino)phenyl]-(4-propylpiperidin-1-yl)methanone?
[4-(propylamino)phenyl]-(4-propylpiperidin-1-yl)methanone has a molecular weight of 288.44 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(propylamino)phenyl]-(4-propylpiperidin-1-yl)methanone is sourced from PubChem (CID 62205102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).