1-(3,3-diphenylpropyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-4-carboxamide

C28H39N3O — CID 25224578

IUPAC1-(3,3-diphenylpropyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-4-carboxamide
SMILESCN1CCC(CNC(=O)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)CC1
InChIInChI=1S/C28H39N3O/c1-30-17-12-23(13-18-30)22-29-28(32)26-14-19-31(20-15-26)21-16-27(24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-11,23,26-27H,12-22H2,1H3,(H,29,32)
InChIKeyDYRIMCIUZFXSES-UHFFFAOYSA-N
MW433.64 g/mol
LogP4.38
Rot. Bonds8

About 1-(3,3-diphenylpropyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-4-carboxamide

1-(3,3-diphenylpropyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 25224578) has the molecular formula C28H39N3O and a molecular weight of 433.64 g/mol. Its IUPAC name is 1-(3,3-diphenylpropyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,3-diphenylpropyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-4-carboxamide
PubChem CID25224578
Molecular FormulaC28H39N3O
Molecular Weight433.64 g/mol
Exact Mass433.31
IUPAC Name1-(3,3-diphenylpropyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-4-carboxamide
SMILESCN1CCC(CNC(=O)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)CC1
InChIInChI=1S/C28H39N3O/c1-30-17-12-23(13-18-30)22-29-28(32)26-14-19-31(20-15-26)21-16-27(24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-11,23,26-27H,12-22H2,1H3,(H,29,32)
InChIKeyDYRIMCIUZFXSES-UHFFFAOYSA-N
XLogP4.38
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.64
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,3-diphenylpropyl)-N-(oxan-4-ylmethyl)piperidine-4-carboxamide
CID 25224577
1-(3,3-diphenylpropyl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 25223132
1-ethyl-3-[(1-methylpiperidin-4-yl)methyl]-1-[1-[(3S)-3-(4-methylsulfonylphenyl)-3-phenylpropyl]piperidin-4-yl]urea
CID 59780714
1-(3,3-diphenylpropyl)-N-[(4-sulfamoylphenyl)methyl]piperidine-4-carboxamide
CID 25225132
benzyl 1-(3,3-diphenylpropyl)piperidine-4-carboxylate
CID 25223025
N-[[(3S)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide
CID 95208543
3-amino-N-[(1-methylpiperidin-4-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119953459
N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-N-methylbenzamide
CID 18381967
3-[(1-methylpyrrolidine-3-carbonyl)amino]-3-phenylpropanoic acid
CID 60922108
1-methyl-N-(1-phenylpropyl)piperidine-4-carboxamide
CID 50875269
ethane;1-methyl-N-(piperidin-4-ylmethyl)piperidine-4-carboxamide
CID 144702617
N-(3,3-diphenylpropyl)-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide
CID 35269814

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diphenylpropyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(3,3-diphenylpropyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-4-carboxamide (CID 25224578) is 1-(3,3-diphenylpropyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,3-diphenylpropyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(3,3-diphenylpropyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-4-carboxamide is CN1CCC(CNC(=O)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)CC1.
What is the InChIKey of 1-(3,3-diphenylpropyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-4-carboxamide?
The InChIKey is DYRIMCIUZFXSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N3O/c1-30-17-12-23(13-18-30)22-29-28(32)26-14-19-31(20-15-26)21-16-27(24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-11,23,26-27H,12-22H2,1H3,(H,29,32).
What are the key properties of 1-(3,3-diphenylpropyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-4-carboxamide?
1-(3,3-diphenylpropyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 433.64 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diphenylpropyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 25224578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).