[3-methyl-4-(propylamino)piperidin-1-yl]-phenylmethanone

C16H24N2O — CID 114498596

IUPAC[3-methyl-4-(propylamino)piperidin-1-yl]-phenylmethanone
SMILESCCCNC1CCN(C(=O)c2ccccc2)CC1C
InChIInChI=1S/C16H24N2O/c1-3-10-17-15-9-11-18(12-13(15)2)16(19)14-7-5-4-6-8-14/h4-8,13,15,17H,3,9-12H2,1-2H3
InChIKeyQYDGNTHREAWVBJ-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.54
Rot. Bonds4

About [3-methyl-4-(propylamino)piperidin-1-yl]-phenylmethanone

[3-methyl-4-(propylamino)piperidin-1-yl]-phenylmethanone (PubChem CID 114498596) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is [3-methyl-4-(propylamino)piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-methyl-4-(propylamino)piperidin-1-yl]-phenylmethanone
PubChem CID114498596
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name[3-methyl-4-(propylamino)piperidin-1-yl]-phenylmethanone
SMILESCCCNC1CCN(C(=O)c2ccccc2)CC1C
InChIInChI=1S/C16H24N2O/c1-3-10-17-15-9-11-18(12-13(15)2)16(19)14-7-5-4-6-8-14/h4-8,13,15,17H,3,9-12H2,1-2H3
InChIKeyQYDGNTHREAWVBJ-UHFFFAOYSA-N
XLogP2.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(ethylamino)-3-methylpiperidin-1-yl]-(4-methylphenyl)methanone
CID 114498414
(3,4-dimethylpiperidin-1-yl)-phenylmethanone
CID 115871745
7-bicyclo[4.2.0]octa-1,3,5-trienyl-[3-methyl-4-(propylamino)piperidin-1-yl]methanone
CID 114498711
[4-(ethylamino)-3-methylpiperidin-1-yl]-(4-ethylphenyl)methanone
CID 114498542
(2-fluoro-4-methylphenyl)-[3-methyl-4-(propylamino)piperidin-1-yl]methanone
CID 114498661
[3-ethyl-4-(propylamino)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 114506968
[3-methyl-4-(propylamino)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 114498726
3-methyl-4-(propylamino)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 114498803
2-cyclopentyl-1-[3-methyl-4-(propylamino)piperidin-1-yl]ethanone
CID 114498667
[3-methyl-4-(methylamino)piperidin-1-yl]-pyridin-4-ylmethanone
CID 114498294
(3-methylpyrrolidin-1-yl)-[4-(propylamino)phenyl]methanone
CID 62179564
methyl (3S,4R)-4-(benzylamino)-3-methylpiperidine-1-carboxylate
CID 58075022

Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-(propylamino)piperidin-1-yl]-phenylmethanone?
The IUPAC name of [3-methyl-4-(propylamino)piperidin-1-yl]-phenylmethanone (CID 114498596) is [3-methyl-4-(propylamino)piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [3-methyl-4-(propylamino)piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [3-methyl-4-(propylamino)piperidin-1-yl]-phenylmethanone is CCCNC1CCN(C(=O)c2ccccc2)CC1C.
What is the InChIKey of [3-methyl-4-(propylamino)piperidin-1-yl]-phenylmethanone?
The InChIKey is QYDGNTHREAWVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-10-17-15-9-11-18(12-13(15)2)16(19)14-7-5-4-6-8-14/h4-8,13,15,17H,3,9-12H2,1-2H3.
What are the key properties of [3-methyl-4-(propylamino)piperidin-1-yl]-phenylmethanone?
[3-methyl-4-(propylamino)piperidin-1-yl]-phenylmethanone has a molecular weight of 260.38 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-(propylamino)piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 114498596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).