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

C18H26N2O2 — CID 110792561

IUPAC1-acetyl-N-[4-(2-methylpropyl)phenyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2ccc(CC(C)C)cc2)CC1
InChIInChI=1S/C18H26N2O2/c1-13(2)12-15-4-6-17(7-5-15)19-18(22)16-8-10-20(11-9-16)14(3)21/h4-7,13,16H,8-12H2,1-3H3,(H,19,22)
InChIKeyCJHHDQVIKGHQPQ-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.08
Rot. Bonds4

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

1-acetyl-N-[4-(2-methylpropyl)phenyl]piperidine-4-carboxamide (PubChem CID 110792561) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-acetyl-N-[4-(2-methylpropyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[4-(2-methylpropyl)phenyl]piperidine-4-carboxamide
PubChem CID110792561
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-acetyl-N-[4-(2-methylpropyl)phenyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2ccc(CC(C)C)cc2)CC1
InChIInChI=1S/C18H26N2O2/c1-13(2)12-15-4-6-17(7-5-15)19-18(22)16-8-10-20(11-9-16)14(3)21/h4-7,13,16H,8-12H2,1-3H3,(H,19,22)
InChIKeyCJHHDQVIKGHQPQ-UHFFFAOYSA-N
XLogP3.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methylphenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide
CID 127035153
N-(4-fluorophenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide
CID 127035455
3-[4-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]phenyl]propanoic acid
CID 119252463
N-(4-acetamidophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31669191
4-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)cyclohexane-1-carboxamide
CID 109147720
1-acetyl-N-(4-nitrophenyl)piperidine-4-carboxamide
CID 108792167
N-[4-[2-(2-methylpropylamino)propyl]phenyl]cyclopropanecarboxamide
CID 82262388
N-[4-[[2-[4-(2-methylpropyl)phenyl]propanoylamino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 54782194
1-acetyl-N-[4-(1,3-dioxolan-2-yl)phenyl]piperidine-4-carboxamide
CID 110745350
1-(1-acetylpiperidin-4-yl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 42881192
1-acetyl-N-[4-(4-chlorophenoxy)phenyl]piperidine-4-carboxamide
CID 6468150
1-acetyl-N-(4-cyclopentylsulfanylphenyl)piperidine-4-carboxamide
CID 37400587

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[4-(2-methylpropyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[4-(2-methylpropyl)phenyl]piperidine-4-carboxamide (CID 110792561) is 1-acetyl-N-[4-(2-methylpropyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[4-(2-methylpropyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[4-(2-methylpropyl)phenyl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)Nc2ccc(CC(C)C)cc2)CC1.
What is the InChIKey of 1-acetyl-N-[4-(2-methylpropyl)phenyl]piperidine-4-carboxamide?
The InChIKey is CJHHDQVIKGHQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13(2)12-15-4-6-17(7-5-15)19-18(22)16-8-10-20(11-9-16)14(3)21/h4-7,13,16H,8-12H2,1-3H3,(H,19,22).
What are the key properties of 1-acetyl-N-[4-(2-methylpropyl)phenyl]piperidine-4-carboxamide?
1-acetyl-N-[4-(2-methylpropyl)phenyl]piperidine-4-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[4-(2-methylpropyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 110792561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).