1-N-benzhydrylpiperidine-1,4-dicarboxamide

C20H23N3O2 — CID 108867553

IUPAC1-N-benzhydrylpiperidine-1,4-dicarboxamide
SMILESNC(=O)C1CCN(C(=O)NC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C20H23N3O2/c21-19(24)17-11-13-23(14-12-17)20(25)22-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H2,21,24)(H,22,25)
InChIKeyHYHFIYBUHDBQIQ-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.68
Rot. Bonds4

About 1-N-benzhydrylpiperidine-1,4-dicarboxamide

1-N-benzhydrylpiperidine-1,4-dicarboxamide (PubChem CID 108867553) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-N-benzhydrylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-benzhydrylpiperidine-1,4-dicarboxamide
PubChem CID108867553
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name1-N-benzhydrylpiperidine-1,4-dicarboxamide
SMILESNC(=O)C1CCN(C(=O)NC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C20H23N3O2/c21-19(24)17-11-13-23(14-12-17)20(25)22-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H2,21,24)(H,22,25)
InChIKeyHYHFIYBUHDBQIQ-UHFFFAOYSA-N
XLogP2.68
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(benzhydrylamino)-2-oxoacetyl]piperidine-4-carboxamide
CID 45001400
ethyl 1-(benzhydrylcarbamoyl)piperidine-4-carboxylate
CID 108867399
N-benzhydryl-4-(triazol-2-yl)piperidine-1-carboxamide
CID 121165108
1-N-(4-phenylbutan-2-yl)piperidine-1,4-dicarboxamide
CID 51074335
(3R)-1-N-[(R)-cyclohexyl(phenyl)methyl]pyrrolidine-1,3-dicarboxamide
CID 94118979
(3S)-1-N-[(S)-cyclohexyl(phenyl)methyl]pyrrolidine-1,3-dicarboxamide
CID 94118978
1-(2-amino-2-phenylacetyl)piperidine-4-carboxamide
CID 24695590
ethyl 4-(benzhydrylcarbamoyl)piperazine-1-carboxylate
CID 108867581
N-benzhydryl-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide
CID 24794972
N-benzhydryl-4-(2,5-dioxoimidazolidin-1-yl)piperidine-1-carboxamide
CID 121160469
1-[(1R)-2-amino-2-oxo-1-phenylethyl]piperidine-4-carboxamide
CID 33401914
1-N-(2-phenylpropan-2-yl)piperidine-1,4-dicarboxamide
CID 110676358

Frequently Asked Questions

What is the IUPAC name of 1-N-benzhydrylpiperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-benzhydrylpiperidine-1,4-dicarboxamide (CID 108867553) is 1-N-benzhydrylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-benzhydrylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-benzhydrylpiperidine-1,4-dicarboxamide is NC(=O)C1CCN(C(=O)NC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-N-benzhydrylpiperidine-1,4-dicarboxamide?
The InChIKey is HYHFIYBUHDBQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c21-19(24)17-11-13-23(14-12-17)20(25)22-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H2,21,24)(H,22,25).
What are the key properties of 1-N-benzhydrylpiperidine-1,4-dicarboxamide?
1-N-benzhydrylpiperidine-1,4-dicarboxamide has a molecular weight of 337.42 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzhydrylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 108867553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).