N-benzhydryl-4-(2-hydroxyethyl)piperazine-1-carboxamide

C20H25N3O2 — CID 973438

IUPACN-benzhydryl-4-(2-hydroxyethyl)piperazine-1-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)N1CCN(CCO)CC1
InChIInChI=1S/C20H25N3O2/c24-16-15-22-11-13-23(14-12-22)20(25)21-19(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19,24H,11-16H2,(H,21,25)
InChIKeyLQFZDPIGGYYJGW-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.10
Rot. Bonds5

About N-benzhydryl-4-(2-hydroxyethyl)piperazine-1-carboxamide

N-benzhydryl-4-(2-hydroxyethyl)piperazine-1-carboxamide (PubChem CID 973438) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-benzhydryl-4-(2-hydroxyethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-4-(2-hydroxyethyl)piperazine-1-carboxamide
PubChem CID973438
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-benzhydryl-4-(2-hydroxyethyl)piperazine-1-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)N1CCN(CCO)CC1
InChIInChI=1S/C20H25N3O2/c24-16-15-22-11-13-23(14-12-22)20(25)21-19(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19,24H,11-16H2,(H,21,25)
InChIKeyLQFZDPIGGYYJGW-UHFFFAOYSA-N
XLogP2.10
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 2809754
4-benzhydryl-N-cyclohexylpiperazine-1-carboxamide
CID 1358608
N-benzyl-4-cyclopentylpiperazine-1-carboxamide
CID 40012125
N,4-dibenzhydrylpiperazine-1-carboxamide
CID 10115592
N-benzylmorpholine-4-carboxamide
CID 760018
(4R,5R,6R)-1,6-dibenzyl-5-hydroxy-4-(2-phenylethyl)-1,3-diazinan-2-one
CID 468423
N-(diphenylmethyl)morpholin-4-ylcarboxamide
CID 1538456
N-(1-phenylethyl)morpholine-4-carboxamide
CID 3136314
4-(Diphenylmethyl)-1-piperazineethanol
CID 4742573
1-Benzyl-1-[3-[benzyl(tert-butylcarbamoyl)amino]-2-hydroxy-propyl]-3-tert-butyl-urea
CID 455825
(4-Benzhydrylpiperazin-1-yl)-piperidin-1-ylmethanone
CID 1334635
4-(diphenylmethyl)-N-(2-methoxyethyl)piperazine-1-carbothioamide
CID 2956553

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-4-(2-hydroxyethyl)piperazine-1-carboxamide?
The IUPAC name of N-benzhydryl-4-(2-hydroxyethyl)piperazine-1-carboxamide (CID 973438) is N-benzhydryl-4-(2-hydroxyethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-benzhydryl-4-(2-hydroxyethyl)piperazine-1-carboxamide?
The canonical SMILES for N-benzhydryl-4-(2-hydroxyethyl)piperazine-1-carboxamide is O=C(NC(c1ccccc1)c1ccccc1)N1CCN(CCO)CC1.
What is the InChIKey of N-benzhydryl-4-(2-hydroxyethyl)piperazine-1-carboxamide?
The InChIKey is LQFZDPIGGYYJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c24-16-15-22-11-13-23(14-12-22)20(25)21-19(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19,24H,11-16H2,(H,21,25).
What are the key properties of N-benzhydryl-4-(2-hydroxyethyl)piperazine-1-carboxamide?
N-benzhydryl-4-(2-hydroxyethyl)piperazine-1-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-4-(2-hydroxyethyl)piperazine-1-carboxamide is sourced from PubChem (CID 973438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).