N-benzhydryl-1-(2-phenoxyethyl)piperidine-4-carboxamide

C27H30N2O2 — CID 121427342

IUPACN-benzhydryl-1-(2-phenoxyethyl)piperidine-4-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)C1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C27H30N2O2/c30-27(28-26(22-10-4-1-5-11-22)23-12-6-2-7-13-23)24-16-18-29(19-17-24)20-21-31-25-14-8-3-9-15-25/h1-15,24,26H,16-21H2,(H,28,30)
InChIKeyIYCNWJXHPZUHGT-UHFFFAOYSA-N
MW414.55 g/mol
LogP4.68
Rot. Bonds8

About N-benzhydryl-1-(2-phenoxyethyl)piperidine-4-carboxamide

N-benzhydryl-1-(2-phenoxyethyl)piperidine-4-carboxamide (PubChem CID 121427342) has the molecular formula C27H30N2O2 and a molecular weight of 414.55 g/mol. Its IUPAC name is N-benzhydryl-1-(2-phenoxyethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-1-(2-phenoxyethyl)piperidine-4-carboxamide
PubChem CID121427342
Molecular FormulaC27H30N2O2
Molecular Weight414.55 g/mol
Exact Mass414.23
IUPAC NameN-benzhydryl-1-(2-phenoxyethyl)piperidine-4-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)C1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C27H30N2O2/c30-27(28-26(22-10-4-1-5-11-22)23-12-6-2-7-13-23)24-16-18-29(19-17-24)20-21-31-25-14-8-3-9-15-25/h1-15,24,26H,16-21H2,(H,28,30)
InChIKeyIYCNWJXHPZUHGT-UHFFFAOYSA-N
XLogP4.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-phenoxyethyl)-N-[(R)-phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide
CID 137423471
N-[(4-chlorophenyl)-(4-fluorophenyl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
CID 121427392
N-[(4-chlorophenyl)-(2-methylphenyl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide;ethane
CID 145107785
N-[(S)-(2-chlorophenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
CID 137423554
1-(2-phenoxyethyl)-N-[pyridin-2-yl-[3-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 121413383
N-[(S)-(4-chlorophenyl)-pyridin-2-ylmethyl]-1-(3-phenoxypropyl)piperidine-4-carboxamide
CID 137423539
1-(2-phenoxyethyl)-N-[pyridin-2-yl-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 121412893
(4-chlorophenyl)-pyridin-2-ylmethanamine;N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide;1-(2-phenoxyethyl)piperidine-4-carboxylic acid
CID 161097139
1-[2-(3-chlorophenoxy)ethyl]-N-[(R)-(4-chlorophenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide
CID 137423514
N-[(R)-cyclohexyl(pyridin-2-yl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
CID 137423496
(Z)-but-2-ene;N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-(3-phenoxypropyl)piperidine-4-carboxamide;ethane
CID 145107795
(4-chlorophenyl)-(5-fluoro-2-pyridinyl)methanamine;N-[(4-chlorophenyl)-(5-fluoro-2-pyridinyl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide;methane;1-(2-phenoxyethyl)piperidine-4-carboxylic acid
CID 160555588

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-1-(2-phenoxyethyl)piperidine-4-carboxamide?
The IUPAC name of N-benzhydryl-1-(2-phenoxyethyl)piperidine-4-carboxamide (CID 121427342) is N-benzhydryl-1-(2-phenoxyethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-benzhydryl-1-(2-phenoxyethyl)piperidine-4-carboxamide?
The canonical SMILES for N-benzhydryl-1-(2-phenoxyethyl)piperidine-4-carboxamide is O=C(NC(c1ccccc1)c1ccccc1)C1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of N-benzhydryl-1-(2-phenoxyethyl)piperidine-4-carboxamide?
The InChIKey is IYCNWJXHPZUHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O2/c30-27(28-26(22-10-4-1-5-11-22)23-12-6-2-7-13-23)24-16-18-29(19-17-24)20-21-31-25-14-8-3-9-15-25/h1-15,24,26H,16-21H2,(H,28,30).
What are the key properties of N-benzhydryl-1-(2-phenoxyethyl)piperidine-4-carboxamide?
N-benzhydryl-1-(2-phenoxyethyl)piperidine-4-carboxamide has a molecular weight of 414.55 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-1-(2-phenoxyethyl)piperidine-4-carboxamide is sourced from PubChem (CID 121427342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).