N-[3-(4-benzylpiperidin-1-yl)propyl]-4-phenylbenzamide

C28H32N2O — CID 122188499

IUPACN-[3-(4-benzylpiperidin-1-yl)propyl]-4-phenylbenzamide
SMILESO=C(NCCCN1CCC(Cc2ccccc2)CC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H32N2O/c31-28(27-14-12-26(13-15-27)25-10-5-2-6-11-25)29-18-7-19-30-20-16-24(17-21-30)22-23-8-3-1-4-9-23/h1-6,8-15,24H,7,16-22H2,(H,29,31)
InChIKeyMRCYIBGVKYPKAF-UHFFFAOYSA-N
MW412.58 g/mol
LogP5.43
Rot. Bonds8

About N-[3-(4-benzylpiperidin-1-yl)propyl]-4-phenylbenzamide

N-[3-(4-benzylpiperidin-1-yl)propyl]-4-phenylbenzamide (PubChem CID 122188499) has the molecular formula C28H32N2O and a molecular weight of 412.58 g/mol. Its IUPAC name is N-[3-(4-benzylpiperidin-1-yl)propyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[3-(4-benzylpiperidin-1-yl)propyl]-4-phenylbenzamide
PubChem CID122188499
Molecular FormulaC28H32N2O
Molecular Weight412.58 g/mol
Exact Mass412.25
IUPAC NameN-[3-(4-benzylpiperidin-1-yl)propyl]-4-phenylbenzamide
SMILESO=C(NCCCN1CCC(Cc2ccccc2)CC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H32N2O/c31-28(27-14-12-26(13-15-27)25-10-5-2-6-11-25)29-18-7-19-30-20-16-24(17-21-30)22-23-8-3-1-4-9-23/h1-6,8-15,24H,7,16-22H2,(H,29,31)
InChIKeyMRCYIBGVKYPKAF-UHFFFAOYSA-N
XLogP5.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.58
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 21987656
AR-M1000390
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N-(1-(Phenylmethyl)-4-piperidinyl)benzamide
CID 40598
4-methyl-N-(2-phenylethyl)benzamide
CID 723105
4-(1,1-Dimethylethyl)-N-(phenylmethyl)benzamide
CID 809338
4-[(S)-[(2S,5R)-2,5-Dimethyl-4-(2-propenyl)-1-piperazinyl]phenylmethyl]-N,N-diethylbenzamide
CID 6604878
N,N-diethyl-4-((3-fluorophenyl)(piperidin-4-ylidene)methyl)benzamide
CID 10570940
ChiRYun
CID 389617
N-4-Piperidylbenzamide
CID 118120
4-Benzyl-1-(3-methylbenzoyl)piperidine
CID 1378917
4-Tert-butyl-N-(2-phenylethyl)benzamide
CID 809340

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzylpiperidin-1-yl)propyl]-4-phenylbenzamide?
The IUPAC name of N-[3-(4-benzylpiperidin-1-yl)propyl]-4-phenylbenzamide (CID 122188499) is N-[3-(4-benzylpiperidin-1-yl)propyl]-4-phenylbenzamide.
What is the SMILES notation for N-[3-(4-benzylpiperidin-1-yl)propyl]-4-phenylbenzamide?
The canonical SMILES for N-[3-(4-benzylpiperidin-1-yl)propyl]-4-phenylbenzamide is O=C(NCCCN1CCC(Cc2ccccc2)CC1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[3-(4-benzylpiperidin-1-yl)propyl]-4-phenylbenzamide?
The InChIKey is MRCYIBGVKYPKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O/c31-28(27-14-12-26(13-15-27)25-10-5-2-6-11-25)29-18-7-19-30-20-16-24(17-21-30)22-23-8-3-1-4-9-23/h1-6,8-15,24H,7,16-22H2,(H,29,31).
What are the key properties of N-[3-(4-benzylpiperidin-1-yl)propyl]-4-phenylbenzamide?
N-[3-(4-benzylpiperidin-1-yl)propyl]-4-phenylbenzamide has a molecular weight of 412.58 g/mol, XLogP of 5.43, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzylpiperidin-1-yl)propyl]-4-phenylbenzamide is sourced from PubChem (CID 122188499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).