N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclobutanecarboxamide

C18H25N3O2 — CID 16589812

IUPACN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclobutanecarboxamide
SMILESO=C(CN1CCC(NC(=O)C2CCC2)CC1)Nc1ccccc1
InChIInChI=1S/C18H25N3O2/c22-17(19-15-7-2-1-3-8-15)13-21-11-9-16(10-12-21)20-18(23)14-5-4-6-14/h1-3,7-8,14,16H,4-6,9-13H2,(H,19,22)(H,20,23)
InChIKeyVCWLRLPZBUPJTI-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.01
Rot. Bonds5

About N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclobutanecarboxamide

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclobutanecarboxamide (PubChem CID 16589812) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclobutanecarboxamide
PubChem CID16589812
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclobutanecarboxamide
SMILESO=C(CN1CCC(NC(=O)C2CCC2)CC1)Nc1ccccc1
InChIInChI=1S/C18H25N3O2/c22-17(19-15-7-2-1-3-8-15)13-21-11-9-16(10-12-21)20-18(23)14-5-4-6-14/h1-3,7-8,14,16H,4-6,9-13H2,(H,19,22)(H,20,23)
InChIKeyVCWLRLPZBUPJTI-UHFFFAOYSA-N
XLogP2.01
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclohexanecarboxamide
CID 3220728
N-[1-[2-(4-fluoroanilino)-2-oxoethyl]piperidin-4-yl]cyclobutanecarboxamide
CID 165434114
(3R)-3-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 32829511
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 16613527
1-[2-(cyclohexylamino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134327
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 16589868
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 16613398
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]piperidine-2-carboxamide;dihydrochloride
CID 119840316
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 3220730
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
N-[9-(2-anilino-2-oxoethyl)-9-azabicyclo[3.3.1]nonan-3-yl]cyclohexanecarboxamide
CID 3220652
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 42940797

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclobutanecarboxamide?
The IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclobutanecarboxamide (CID 16589812) is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclobutanecarboxamide is O=C(CN1CCC(NC(=O)C2CCC2)CC1)Nc1ccccc1.
What is the InChIKey of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclobutanecarboxamide?
The InChIKey is VCWLRLPZBUPJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c22-17(19-15-7-2-1-3-8-15)13-21-11-9-16(10-12-21)20-18(23)14-5-4-6-14/h1-3,7-8,14,16H,4-6,9-13H2,(H,19,22)(H,20,23).
What are the key properties of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclobutanecarboxamide?
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclobutanecarboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclobutanecarboxamide is sourced from PubChem (CID 16589812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).