2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-1-piperidin-1-ylethanone

C18H26N2O — CID 115576039

IUPAC2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-1-piperidin-1-ylethanone
SMILESCc1ccc(C(NCC(=O)N2CCCCC2)C2CC2)cc1
InChIInChI=1S/C18H26N2O/c1-14-5-7-15(8-6-14)18(16-9-10-16)19-13-17(21)20-11-3-2-4-12-20/h5-8,16,18-19H,2-4,9-13H2,1H3
InChIKeyPUECCBCPXZDSAD-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.05
Rot. Bonds5

About 2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-1-piperidin-1-ylethanone

2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-1-piperidin-1-ylethanone (PubChem CID 115576039) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-1-piperidin-1-ylethanone
PubChem CID115576039
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-1-piperidin-1-ylethanone
SMILESCc1ccc(C(NCC(=O)N2CCCCC2)C2CC2)cc1
InChIInChI=1S/C18H26N2O/c1-14-5-7-15(8-6-14)18(16-9-10-16)19-13-17(21)20-11-3-2-4-12-20/h5-8,16,18-19H,2-4,9-13H2,1H3
InChIKeyPUECCBCPXZDSAD-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azepan-1-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide
CID 46526961
3-[[cyclopropyl(phenyl)methyl]amino]-1-piperidin-1-ylpropan-1-one
CID 115753017
2-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-pyrrolidin-1-ylethanone
CID 113220009
N-[cyclopropyl-(4-methylphenyl)methyl]-3-hydroxypiperidine-1-carboxamide
CID 110895511
3-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2,2-difluoropropan-1-ol
CID 104860420
2-amino-2-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide;hydrochloride
CID 120667266
2-cyclohexyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine
CID 63448573
N-[cyclopropyl-(4-methylphenyl)methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 134018895
2-[1-(4-bromophenyl)ethylamino]-1-piperidin-1-ylethanone
CID 60674178
4-[[cyclopropyl-(4-methylphenyl)methyl]amino]-3-methylbutan-1-ol
CID 66091100
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-piperidin-1-ylethanone
CID 81347710
2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62697174

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-1-piperidin-1-ylethanone (CID 115576039) is 2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-1-piperidin-1-ylethanone is Cc1ccc(C(NCC(=O)N2CCCCC2)C2CC2)cc1.
What is the InChIKey of 2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-1-piperidin-1-ylethanone?
The InChIKey is PUECCBCPXZDSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-14-5-7-15(8-6-14)18(16-9-10-16)19-13-17(21)20-11-3-2-4-12-20/h5-8,16,18-19H,2-4,9-13H2,1H3.
What are the key properties of 2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-1-piperidin-1-ylethanone?
2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-1-piperidin-1-ylethanone has a molecular weight of 286.42 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-1-piperidin-1-ylethanone is sourced from PubChem (CID 115576039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).