N-(1-benzylpiperidin-4-yl)-4-phenyloxane-4-carboxamide

C24H30N2O2 — CID 39895770

IUPACN-(1-benzylpiperidin-4-yl)-4-phenyloxane-4-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C24H30N2O2/c27-23(24(13-17-28-18-14-24)21-9-5-2-6-10-21)25-22-11-15-26(16-12-22)19-20-7-3-1-4-8-20/h1-10,22H,11-19H2,(H,25,27)
InChIKeySNSYTYMPZASMKY-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.52
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-4-phenyloxane-4-carboxamide

N-(1-benzylpiperidin-4-yl)-4-phenyloxane-4-carboxamide (PubChem CID 39895770) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-4-phenyloxane-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-4-phenyloxane-4-carboxamide
PubChem CID39895770
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC NameN-(1-benzylpiperidin-4-yl)-4-phenyloxane-4-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C24H30N2O2/c27-23(24(13-17-28-18-14-24)21-9-5-2-6-10-21)25-22-11-15-26(16-12-22)19-20-7-3-1-4-8-20/h1-10,22H,11-19H2,(H,25,27)
InChIKeySNSYTYMPZASMKY-UHFFFAOYSA-N
XLogP3.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxane-4-carboxamide
CID 166190743
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4-phenyloxane-4-carboxamide
CID 55979610
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-4-phenyloxane-4-carboxamide
CID 47085199
1-amino-N-(1-benzylpiperidin-4-yl)cyclopropane-1-carboxamide;dihydrochloride
CID 119827542
N-(4-methylidenecyclohexyl)-4-phenyloxane-4-carboxamide
CID 126851440
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-phenyloxane-4-carboxamide
CID 112822610
N-[4-(4-benzylpiperazine-1-carbonyl)phenyl]-4-phenyloxane-4-carboxamide
CID 29140903
(1R)-N-(1-benzylpiperidin-4-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide
CID 2712549
N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-1-(3,4-difluorophenyl)sulfonyl-4-phenylpiperidine-4-carboxamide
CID 166352607
4-phenyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]oxane-4-carboxamide
CID 99819338
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1-phenylcyclobutane-1-carboxamide
CID 55979347
N-(7-oxaspiro[3.5]nonan-3-yl)-4-phenyloxane-4-carboxamide
CID 122276201

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-4-phenyloxane-4-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-4-phenyloxane-4-carboxamide (CID 39895770) is N-(1-benzylpiperidin-4-yl)-4-phenyloxane-4-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-4-phenyloxane-4-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-4-phenyloxane-4-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)C1(c2ccccc2)CCOCC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-4-phenyloxane-4-carboxamide?
The InChIKey is SNSYTYMPZASMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c27-23(24(13-17-28-18-14-24)21-9-5-2-6-10-21)25-22-11-15-26(16-12-22)19-20-7-3-1-4-8-20/h1-10,22H,11-19H2,(H,25,27).
What are the key properties of N-(1-benzylpiperidin-4-yl)-4-phenyloxane-4-carboxamide?
N-(1-benzylpiperidin-4-yl)-4-phenyloxane-4-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-4-phenyloxane-4-carboxamide is sourced from PubChem (CID 39895770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).