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

Remacemide
CID 60511
1-(4-Benzhydrylpiperazin-1-yl)ethanone
CID 885644
1-Benzyl-4-(isopropylamino)piperidine-4-carboxamide
CID 70573
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-(4-phenylphenyl)ethyl]amino}pentanamide
CID 23648300
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(4-methylphenyl)phenyl]ethyl]amino}pentanamide
CID 23648301
1-Benzyl-4-(methylamino)piperidine-4-carboxamide
CID 96411
1-Benzyl-4-(propylamino)piperidine-4-carboxamide
CID 70574
N~2~-(cyclohexylcarbonyl)-N-(1-phenylethyl)leucinamide
CID 16003816
Acetamide, N-(alpha-cyclohexylbenzyl)-2-(diethylamino)-
CID 209457
1-Piperidineacetamide, N-(diphenylmethyl)-
CID 216494
1-Pyrrolidineacetamide, N-(diphenylmethyl)-
CID 216501
1-Piperidineacetamide, 4-methyl-N-(phenylmethyl)-
CID 972703

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).