N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylpyridine-3-carboxamide

C26H29N3O — CID 23223142

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylpyridine-3-carboxamide
SMILESO=C(c1cccnc1)N(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C26H29N3O/c30-26(24-10-7-16-27-20-24)29(25-11-5-2-6-12-25)19-15-22-13-17-28(18-14-22)21-23-8-3-1-4-9-23/h1-12,16,20,22H,13-15,17-19,21H2
InChIKeyWMCAILDHCGQCNI-UHFFFAOYSA-N
MW399.54 g/mol
LogP5.03
Rot. Bonds7

About N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylpyridine-3-carboxamide

N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylpyridine-3-carboxamide (PubChem CID 23223142) has the molecular formula C26H29N3O and a molecular weight of 399.54 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylpyridine-3-carboxamide
PubChem CID23223142
Molecular FormulaC26H29N3O
Molecular Weight399.54 g/mol
Exact Mass399.23
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylpyridine-3-carboxamide
SMILESO=C(c1cccnc1)N(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C26H29N3O/c30-26(24-10-7-16-27-20-24)29(25-11-5-2-6-12-25)19-15-22-13-17-28(18-14-22)21-23-8-3-1-4-9-23/h1-12,16,20,22H,13-15,17-19,21H2
InChIKeyWMCAILDHCGQCNI-UHFFFAOYSA-N
XLogP5.03
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.54
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzamide
CID 14553502
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methylbenzamide
CID 10019926
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methylbenzamide;hydrochloride
CID 14096792
N-benzyl-N-phenylpyridine-3-carboxamide;hydrochloride
CID 110756627
N-(pyridin-3-ylmethyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 24732544
1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-pyridin-3-ylthiourea
CID 10316141
1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3404052
N-[(1-benzylpiperidin-4-yl)methylideneamino]pyridine-3-carboxamide
CID 175105269
N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 24731148
N-benzyl-3-[[4-[3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propyl]piperidin-1-yl]methyl]benzamide
CID 10186514
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methyl-2-phenylacetamide
CID 11163946
3-phenyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]propanamide
CID 16895855

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylpyridine-3-carboxamide?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylpyridine-3-carboxamide (CID 23223142) is N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylpyridine-3-carboxamide is O=C(c1cccnc1)N(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylpyridine-3-carboxamide?
The InChIKey is WMCAILDHCGQCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O/c30-26(24-10-7-16-27-20-24)29(25-11-5-2-6-12-25)19-15-22-13-17-28(18-14-22)21-23-8-3-1-4-9-23/h1-12,16,20,22H,13-15,17-19,21H2.
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylpyridine-3-carboxamide?
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylpyridine-3-carboxamide has a molecular weight of 399.54 g/mol, XLogP of 5.03, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 23223142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).