(3-methylpyrrolidin-1-yl)-[4-(propylamino)phenyl]methanone

C15H22N2O — CID 62179564

IUPAC(3-methylpyrrolidin-1-yl)-[4-(propylamino)phenyl]methanone
SMILESCCCNc1ccc(C(=O)N2CCC(C)C2)cc1
InChIInChI=1S/C15H22N2O/c1-3-9-16-14-6-4-13(5-7-14)15(18)17-10-8-12(2)11-17/h4-7,12,16H,3,8-11H2,1-2H3
InChIKeyJRQCEPUQOXGCMZ-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.99
Rot. Bonds4

About (3-methylpyrrolidin-1-yl)-[4-(propylamino)phenyl]methanone

(3-methylpyrrolidin-1-yl)-[4-(propylamino)phenyl]methanone (PubChem CID 62179564) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (3-methylpyrrolidin-1-yl)-[4-(propylamino)phenyl]methanone.

Molecular Properties

Compound Name(3-methylpyrrolidin-1-yl)-[4-(propylamino)phenyl]methanone
PubChem CID62179564
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(3-methylpyrrolidin-1-yl)-[4-(propylamino)phenyl]methanone
SMILESCCCNc1ccc(C(=O)N2CCC(C)C2)cc1
InChIInChI=1S/C15H22N2O/c1-3-9-16-14-6-4-13(5-7-14)15(18)17-10-8-12(2)11-17/h4-7,12,16H,3,8-11H2,1-2H3
InChIKeyJRQCEPUQOXGCMZ-UHFFFAOYSA-N
XLogP2.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methylazepan-1-yl)-[4-(propylamino)phenyl]methanone
CID 63626184
[3-(methoxymethyl)pyrrolidin-1-yl]-[4-(propylamino)phenyl]methanone
CID 64583564
(3,4-dimethylpiperazin-1-yl)-[4-(propylamino)phenyl]methanone
CID 63605486
[4-(propylamino)phenyl]-(4-propylpiperidin-1-yl)methanone
CID 62205102
[3-methyl-4-(propylamino)phenyl]-(3-methylpyrrolidin-1-yl)methanone
CID 63213608
[4-(propylamino)phenyl]-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 114540449
(2,6-dimethylmorpholin-4-yl)-[4-(propylamino)phenyl]methanone
CID 62170653
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[4-(propylamino)phenyl]methanone
CID 79933698
(4-cyclopropylpiperazin-1-yl)-[4-(propylamino)phenyl]methanone
CID 62178193
tetrakis(N-decylformamide);[4-(3-methylpyrrolidine-1-carbonyl)phenyl]-(3-methylpyrrolidin-1-yl)methanone
CID 145434379
N-ethyl-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54830445
N-methyl-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54830446

Frequently Asked Questions

What is the IUPAC name of (3-methylpyrrolidin-1-yl)-[4-(propylamino)phenyl]methanone?
The IUPAC name of (3-methylpyrrolidin-1-yl)-[4-(propylamino)phenyl]methanone (CID 62179564) is (3-methylpyrrolidin-1-yl)-[4-(propylamino)phenyl]methanone.
What is the SMILES notation for (3-methylpyrrolidin-1-yl)-[4-(propylamino)phenyl]methanone?
The canonical SMILES for (3-methylpyrrolidin-1-yl)-[4-(propylamino)phenyl]methanone is CCCNc1ccc(C(=O)N2CCC(C)C2)cc1.
What is the InChIKey of (3-methylpyrrolidin-1-yl)-[4-(propylamino)phenyl]methanone?
The InChIKey is JRQCEPUQOXGCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-9-16-14-6-4-13(5-7-14)15(18)17-10-8-12(2)11-17/h4-7,12,16H,3,8-11H2,1-2H3.
What are the key properties of (3-methylpyrrolidin-1-yl)-[4-(propylamino)phenyl]methanone?
(3-methylpyrrolidin-1-yl)-[4-(propylamino)phenyl]methanone has a molecular weight of 246.35 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpyrrolidin-1-yl)-[4-(propylamino)phenyl]methanone is sourced from PubChem (CID 62179564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).