N-benzhydryl-4-[(1S)-1-piperidin-1-ylethyl]piperazine-1-carboxamide

C25H34N4O — CID 69018260

IUPACN-benzhydryl-4-[(1S)-1-piperidin-1-ylethyl]piperazine-1-carboxamide
SMILESC[C@@H](N1CCCCC1)N1CCN(C(=O)NC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H34N4O/c1-21(27-15-9-4-10-16-27)28-17-19-29(20-18-28)25(30)26-24(22-11-5-2-6-12-22)23-13-7-3-8-14-23/h2-3,5-8,11-14,21,24H,4,9-10,15-20H2,1H3,(H,26,30)/t21-/m0/s1
InChIKeyKBHVBXWTODBPQT-NRFANRHFSA-N
MW406.57 g/mol
LogP3.94
Rot. Bonds5

About N-benzhydryl-4-[(1S)-1-piperidin-1-ylethyl]piperazine-1-carboxamide

N-benzhydryl-4-[(1S)-1-piperidin-1-ylethyl]piperazine-1-carboxamide (PubChem CID 69018260) has the molecular formula C25H34N4O and a molecular weight of 406.57 g/mol. Its IUPAC name is N-benzhydryl-4-[(1S)-1-piperidin-1-ylethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-4-[(1S)-1-piperidin-1-ylethyl]piperazine-1-carboxamide
PubChem CID69018260
Molecular FormulaC25H34N4O
Molecular Weight406.57 g/mol
Exact Mass406.27
IUPAC NameN-benzhydryl-4-[(1S)-1-piperidin-1-ylethyl]piperazine-1-carboxamide
SMILESC[C@@H](N1CCCCC1)N1CCN(C(=O)NC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H34N4O/c1-21(27-15-9-4-10-16-27)28-17-19-29(20-18-28)25(30)26-24(22-11-5-2-6-12-22)23-13-7-3-8-14-23/h2-3,5-8,11-14,21,24H,4,9-10,15-20H2,1H3,(H,26,30)/t21-/m0/s1
InChIKeyKBHVBXWTODBPQT-NRFANRHFSA-N
XLogP3.94
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-phenylethyl)pyrrolidine-1-carboxamide
CID 108987850
ethyl 4-(benzhydrylcarbamoyl)piperazine-1-carboxylate
CID 108867581
N-benzhydryl-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 108867571
1-N-benzhydrylpiperidine-1,4-dicarboxamide
CID 108867553
N-benzhydryl-4-benzhydrylidenepiperidine-1-carboxamide
CID 10204752
N-[bis(4-fluorophenyl)methyl]-4-(1-pyrrolidin-1-ylpropyl)piperazine-1-carboxamide
CID 68626796
N-[(1S)-1-phenylethyl]-1,4,7,10-tetrazacyclododecane-1-carboxamide
CID 102420042
N-(1-phenylethyl)piperazine-1-carboxamide
CID 22011928
N-benzhydryl-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide
CID 21037675
N-[1-(4-benzhydrylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]azepane-1-carboxamide
CID 23388414
N-benzhydryl-2-oxo-2-piperidin-1-ylacetamide
CID 108508001
N-[(1S)-1-phenylethyl]-3-piperidin-1-ylazetidine-1-carboxamide
CID 122568655

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-4-[(1S)-1-piperidin-1-ylethyl]piperazine-1-carboxamide?
The IUPAC name of N-benzhydryl-4-[(1S)-1-piperidin-1-ylethyl]piperazine-1-carboxamide (CID 69018260) is N-benzhydryl-4-[(1S)-1-piperidin-1-ylethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-benzhydryl-4-[(1S)-1-piperidin-1-ylethyl]piperazine-1-carboxamide?
The canonical SMILES for N-benzhydryl-4-[(1S)-1-piperidin-1-ylethyl]piperazine-1-carboxamide is C[C@@H](N1CCCCC1)N1CCN(C(=O)NC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-benzhydryl-4-[(1S)-1-piperidin-1-ylethyl]piperazine-1-carboxamide?
The InChIKey is KBHVBXWTODBPQT-NRFANRHFSA-N. The full InChI is InChI=1S/C25H34N4O/c1-21(27-15-9-4-10-16-27)28-17-19-29(20-18-28)25(30)26-24(22-11-5-2-6-12-22)23-13-7-3-8-14-23/h2-3,5-8,11-14,21,24H,4,9-10,15-20H2,1H3,(H,26,30)/t21-/m0/s1.
What are the key properties of N-benzhydryl-4-[(1S)-1-piperidin-1-ylethyl]piperazine-1-carboxamide?
N-benzhydryl-4-[(1S)-1-piperidin-1-ylethyl]piperazine-1-carboxamide has a molecular weight of 406.57 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-4-[(1S)-1-piperidin-1-ylethyl]piperazine-1-carboxamide is sourced from PubChem (CID 69018260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).