1-[2-[4-(2-methylpropyl)phenyl]acetyl]piperidine-4-carboxamide

C18H26N2O2 — CID 51218966

IUPAC1-[2-[4-(2-methylpropyl)phenyl]acetyl]piperidine-4-carboxamide
SMILESCC(C)Cc1ccc(CC(=O)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C18H26N2O2/c1-13(2)11-14-3-5-15(6-4-14)12-17(21)20-9-7-16(8-10-20)18(19)22/h3-6,13,16H,7-12H2,1-2H3,(H2,19,22)
InChIKeyCRXVFAWLVJUINV-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.15
Rot. Bonds5

About 1-[2-[4-(2-methylpropyl)phenyl]acetyl]piperidine-4-carboxamide

1-[2-[4-(2-methylpropyl)phenyl]acetyl]piperidine-4-carboxamide (PubChem CID 51218966) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-[2-[4-(2-methylpropyl)phenyl]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[4-(2-methylpropyl)phenyl]acetyl]piperidine-4-carboxamide
PubChem CID51218966
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-[2-[4-(2-methylpropyl)phenyl]acetyl]piperidine-4-carboxamide
SMILESCC(C)Cc1ccc(CC(=O)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C18H26N2O2/c1-13(2)11-14-3-5-15(6-4-14)12-17(21)20-9-7-16(8-10-20)18(19)22/h3-6,13,16H,7-12H2,1-2H3,(H2,19,22)
InChIKeyCRXVFAWLVJUINV-UHFFFAOYSA-N
XLogP2.15
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2-methylpropyl)phenyl]-1-piperazin-1-ylethanone
CID 82132922
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone;hydrochloride
CID 119646554
1-[2-(4-morpholin-4-ylphenyl)acetyl]piperidine-4-carboxamide
CID 110675153
1-[2-methyl-3-(4-propan-2-ylphenyl)propanoyl]piperidine-4-carboxamide
CID 110674012
1-[3-(1-aminoethyl)piperidin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone;hydrochloride
CID 119595026
1-[2-(3-aminophenyl)acetyl]piperidine-4-carboxamide
CID 28711990
1-[3-(methylamino)piperidin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone
CID 119491030
1-[2-(3-chlorophenyl)acetyl]piperidine-4-carboxamide
CID 95211420
1-[3-(methylamino)piperidin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone;hydrochloride
CID 119491029
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-[4-(2-methylpropyl)phenyl]ethanone;hydrochloride
CID 120659592
1-[2-(4-bromophenyl)acetyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 113002779
1-(4-acetylpiperidin-1-yl)-2-(4-bromophenyl)ethanone
CID 112536855

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-methylpropyl)phenyl]acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[4-(2-methylpropyl)phenyl]acetyl]piperidine-4-carboxamide (CID 51218966) is 1-[2-[4-(2-methylpropyl)phenyl]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[4-(2-methylpropyl)phenyl]acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[4-(2-methylpropyl)phenyl]acetyl]piperidine-4-carboxamide is CC(C)Cc1ccc(CC(=O)N2CCC(C(N)=O)CC2)cc1.
What is the InChIKey of 1-[2-[4-(2-methylpropyl)phenyl]acetyl]piperidine-4-carboxamide?
The InChIKey is CRXVFAWLVJUINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13(2)11-14-3-5-15(6-4-14)12-17(21)20-9-7-16(8-10-20)18(19)22/h3-6,13,16H,7-12H2,1-2H3,(H2,19,22).
What are the key properties of 1-[2-[4-(2-methylpropyl)phenyl]acetyl]piperidine-4-carboxamide?
1-[2-[4-(2-methylpropyl)phenyl]acetyl]piperidine-4-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-methylpropyl)phenyl]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 51218966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).