N-[1-(4-anilino-4-oxobutyl)piperidin-4-yl]benzamide

C22H27N3O2 — CID 57114875

IUPACN-[1-(4-anilino-4-oxobutyl)piperidin-4-yl]benzamide
SMILESO=C(CCCN1CCC(NC(=O)c2ccccc2)CC1)Nc1ccccc1
InChIInChI=1S/C22H27N3O2/c26-21(23-19-10-5-2-6-11-19)12-7-15-25-16-13-20(14-17-25)24-22(27)18-8-3-1-4-9-18/h1-6,8-11,20H,7,12-17H2,(H,23,26)(H,24,27)
InChIKeyCGHIDVKPZWRTGU-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.30
Rot. Bonds7

About N-[1-(4-anilino-4-oxobutyl)piperidin-4-yl]benzamide

N-[1-(4-anilino-4-oxobutyl)piperidin-4-yl]benzamide (PubChem CID 57114875) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[1-(4-anilino-4-oxobutyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-(4-anilino-4-oxobutyl)piperidin-4-yl]benzamide
PubChem CID57114875
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[1-(4-anilino-4-oxobutyl)piperidin-4-yl]benzamide
SMILESO=C(CCCN1CCC(NC(=O)c2ccccc2)CC1)Nc1ccccc1
InChIInChI=1S/C22H27N3O2/c26-21(23-19-10-5-2-6-11-19)12-7-15-25-16-13-20(14-17-25)24-22(27)18-8-3-1-4-9-18/h1-6,8-11,20H,7,12-17H2,(H,23,26)(H,24,27)
InChIKeyCGHIDVKPZWRTGU-UHFFFAOYSA-N
XLogP3.30
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-benzamidopiperidin-1-yl)butanoylamino]benzamide
CID 59764355
N-[1-(4-amino-4-oxobutyl)piperidin-4-yl]benzamide;methyl 4-(4-benzamidopiperidin-1-yl)butanoate
CID 21434692
N-[1-(2-cyclohexylethyl)piperidin-4-yl]benzamide
CID 21413269
N-(1-benzylpiperidin-4-yl)-4-[(2-chloroacetyl)amino]benzamide
CID 3044759
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 18146068
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(dimethylamino)benzamide
CID 42014034
N-[1-[3-(2-phenylhydrazinyl)butyl]piperidin-4-yl]benzamide
CID 21395239
N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-4-(phenylcarbamoylamino)benzamide
CID 56568887
methyl 3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]benzoate
CID 55761750
N,N'-bis[4-(cyclohexylcarbamoyl)phenyl]hexanediamide
CID 43878588
4-fluoro-N-[1-(3-phenylpropyl)piperidin-4-yl]benzamide
CID 34799426
4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]butanamide;dihydrochloride
CID 119840358

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-anilino-4-oxobutyl)piperidin-4-yl]benzamide?
The IUPAC name of N-[1-(4-anilino-4-oxobutyl)piperidin-4-yl]benzamide (CID 57114875) is N-[1-(4-anilino-4-oxobutyl)piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-(4-anilino-4-oxobutyl)piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-(4-anilino-4-oxobutyl)piperidin-4-yl]benzamide is O=C(CCCN1CCC(NC(=O)c2ccccc2)CC1)Nc1ccccc1.
What is the InChIKey of N-[1-(4-anilino-4-oxobutyl)piperidin-4-yl]benzamide?
The InChIKey is CGHIDVKPZWRTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c26-21(23-19-10-5-2-6-11-19)12-7-15-25-16-13-20(14-17-25)24-22(27)18-8-3-1-4-9-18/h1-6,8-11,20H,7,12-17H2,(H,23,26)(H,24,27).
What are the key properties of N-[1-(4-anilino-4-oxobutyl)piperidin-4-yl]benzamide?
N-[1-(4-anilino-4-oxobutyl)piperidin-4-yl]benzamide has a molecular weight of 365.48 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-anilino-4-oxobutyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 57114875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).