N-benzhydryl-4-[1-(1-methylpiperidin-4-yl)-1-phenylethyl]piperazine-1-carboxamide

C32H40N4O — CID 11720221

IUPACN-benzhydryl-4-[1-(1-methylpiperidin-4-yl)-1-phenylethyl]piperazine-1-carboxamide
SMILESCN1CCC(C(C)(c2ccccc2)N2CCN(C(=O)NC(c3ccccc3)c3ccccc3)CC2)CC1
InChIInChI=1S/C32H40N4O/c1-32(28-16-10-5-11-17-28,29-18-20-34(2)21-19-29)36-24-22-35(23-25-36)31(37)33-30(26-12-6-3-7-13-26)27-14-8-4-9-15-27/h3-17,29-30H,18-25H2,1-2H3,(H,33,37)
InChIKeySVRRZOIZHAOXNA-UHFFFAOYSA-N
MW496.70 g/mol
LogP5.36
Rot. Bonds6

About N-benzhydryl-4-[1-(1-methylpiperidin-4-yl)-1-phenylethyl]piperazine-1-carboxamide

N-benzhydryl-4-[1-(1-methylpiperidin-4-yl)-1-phenylethyl]piperazine-1-carboxamide (PubChem CID 11720221) has the molecular formula C32H40N4O and a molecular weight of 496.70 g/mol. Its IUPAC name is N-benzhydryl-4-[1-(1-methylpiperidin-4-yl)-1-phenylethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-4-[1-(1-methylpiperidin-4-yl)-1-phenylethyl]piperazine-1-carboxamide
PubChem CID11720221
Molecular FormulaC32H40N4O
Molecular Weight496.70 g/mol
Exact Mass496.32
IUPAC NameN-benzhydryl-4-[1-(1-methylpiperidin-4-yl)-1-phenylethyl]piperazine-1-carboxamide
SMILESCN1CCC(C(C)(c2ccccc2)N2CCN(C(=O)NC(c3ccccc3)c3ccccc3)CC2)CC1
InChIInChI=1S/C32H40N4O/c1-32(28-16-10-5-11-17-28,29-18-20-34(2)21-19-29)36-24-22-35(23-25-36)31(37)33-30(26-12-6-3-7-13-26)27-14-8-4-9-15-27/h3-17,29-30H,18-25H2,1-2H3,(H,33,37)
InChIKeySVRRZOIZHAOXNA-UHFFFAOYSA-N
XLogP5.36
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.70
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-4-[1-(1-methylpiperidin-4-yl)-1-phenylethyl]piperazine-1-carboxamide?
The IUPAC name of N-benzhydryl-4-[1-(1-methylpiperidin-4-yl)-1-phenylethyl]piperazine-1-carboxamide (CID 11720221) is N-benzhydryl-4-[1-(1-methylpiperidin-4-yl)-1-phenylethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-benzhydryl-4-[1-(1-methylpiperidin-4-yl)-1-phenylethyl]piperazine-1-carboxamide?
The canonical SMILES for N-benzhydryl-4-[1-(1-methylpiperidin-4-yl)-1-phenylethyl]piperazine-1-carboxamide is CN1CCC(C(C)(c2ccccc2)N2CCN(C(=O)NC(c3ccccc3)c3ccccc3)CC2)CC1.
What is the InChIKey of N-benzhydryl-4-[1-(1-methylpiperidin-4-yl)-1-phenylethyl]piperazine-1-carboxamide?
The InChIKey is SVRRZOIZHAOXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N4O/c1-32(28-16-10-5-11-17-28,29-18-20-34(2)21-19-29)36-24-22-35(23-25-36)31(37)33-30(26-12-6-3-7-13-26)27-14-8-4-9-15-27/h3-17,29-30H,18-25H2,1-2H3,(H,33,37).
What are the key properties of N-benzhydryl-4-[1-(1-methylpiperidin-4-yl)-1-phenylethyl]piperazine-1-carboxamide?
N-benzhydryl-4-[1-(1-methylpiperidin-4-yl)-1-phenylethyl]piperazine-1-carboxamide has a molecular weight of 496.70 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-4-[1-(1-methylpiperidin-4-yl)-1-phenylethyl]piperazine-1-carboxamide is sourced from PubChem (CID 11720221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).