N,N-diethyl-4-(N-piperidin-4-ylanilino)benzamide

C22H29N3O — CID 12988885

IUPACN,N-diethyl-4-(N-piperidin-4-ylanilino)benzamide
SMILESCCN(CC)C(=O)c1ccc(N(c2ccccc2)C2CCNCC2)cc1
InChIInChI=1S/C22H29N3O/c1-3-24(4-2)22(26)18-10-12-20(13-11-18)25(19-8-6-5-7-9-19)21-14-16-23-17-15-21/h5-13,21,23H,3-4,14-17H2,1-2H3
InChIKeyAWAZHWFNXWUHIQ-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.06
Rot. Bonds6

About N,N-diethyl-4-(N-piperidin-4-ylanilino)benzamide

N,N-diethyl-4-(N-piperidin-4-ylanilino)benzamide (PubChem CID 12988885) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is N,N-diethyl-4-(N-piperidin-4-ylanilino)benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-(N-piperidin-4-ylanilino)benzamide
PubChem CID12988885
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC NameN,N-diethyl-4-(N-piperidin-4-ylanilino)benzamide
SMILESCCN(CC)C(=O)c1ccc(N(c2ccccc2)C2CCNCC2)cc1
InChIInChI=1S/C22H29N3O/c1-3-24(4-2)22(26)18-10-12-20(13-11-18)25(19-8-6-5-7-9-19)21-14-16-23-17-15-21/h5-13,21,23H,3-4,14-17H2,1-2H3
InChIKeyAWAZHWFNXWUHIQ-UHFFFAOYSA-N
XLogP4.06
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Mozavaptan
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Acecainide Hydrochloride
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4-(N-methyl-2-phenylethylamino)-1-(3,5-dimethyl-4-propionylaminobenzoyl)piperidine
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RG-2833
CID 56654642

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(N-piperidin-4-ylanilino)benzamide?
The IUPAC name of N,N-diethyl-4-(N-piperidin-4-ylanilino)benzamide (CID 12988885) is N,N-diethyl-4-(N-piperidin-4-ylanilino)benzamide.
What is the SMILES notation for N,N-diethyl-4-(N-piperidin-4-ylanilino)benzamide?
The canonical SMILES for N,N-diethyl-4-(N-piperidin-4-ylanilino)benzamide is CCN(CC)C(=O)c1ccc(N(c2ccccc2)C2CCNCC2)cc1.
What is the InChIKey of N,N-diethyl-4-(N-piperidin-4-ylanilino)benzamide?
The InChIKey is AWAZHWFNXWUHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-3-24(4-2)22(26)18-10-12-20(13-11-18)25(19-8-6-5-7-9-19)21-14-16-23-17-15-21/h5-13,21,23H,3-4,14-17H2,1-2H3.
What are the key properties of N,N-diethyl-4-(N-piperidin-4-ylanilino)benzamide?
N,N-diethyl-4-(N-piperidin-4-ylanilino)benzamide has a molecular weight of 351.49 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(N-piperidin-4-ylanilino)benzamide is sourced from PubChem (CID 12988885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).