6-(4-benzylpiperidin-1-yl)-N-cyclopropylpyridine-3-carboxamide

C21H25N3O — CID 44527525

IUPAC6-(4-benzylpiperidin-1-yl)-N-cyclopropylpyridine-3-carboxamide
SMILESO=C(NC1CC1)c1ccc(N2CCC(Cc3ccccc3)CC2)nc1
InChIInChI=1S/C21H25N3O/c25-21(23-19-7-8-19)18-6-9-20(22-15-18)24-12-10-17(11-13-24)14-16-4-2-1-3-5-16/h1-6,9,15,17,19H,7-8,10-14H2,(H,23,25)
InChIKeyOJHILPWXWVKWNC-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.43
Rot. Bonds5

About 6-(4-benzylpiperidin-1-yl)-N-cyclopropylpyridine-3-carboxamide

6-(4-benzylpiperidin-1-yl)-N-cyclopropylpyridine-3-carboxamide (PubChem CID 44527525) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 6-(4-benzylpiperidin-1-yl)-N-cyclopropylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-benzylpiperidin-1-yl)-N-cyclopropylpyridine-3-carboxamide
PubChem CID44527525
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name6-(4-benzylpiperidin-1-yl)-N-cyclopropylpyridine-3-carboxamide
SMILESO=C(NC1CC1)c1ccc(N2CCC(Cc3ccccc3)CC2)nc1
InChIInChI=1S/C21H25N3O/c25-21(23-19-7-8-19)18-6-9-20(22-15-18)24-12-10-17(11-13-24)14-16-4-2-1-3-5-16/h1-6,9,15,17,19H,7-8,10-14H2,(H,23,25)
InChIKeyOJHILPWXWVKWNC-UHFFFAOYSA-N
XLogP3.43
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-benzylpiperidin-1-yl)-N-cyclopropylpyridine-3-carboxamide?
The IUPAC name of 6-(4-benzylpiperidin-1-yl)-N-cyclopropylpyridine-3-carboxamide (CID 44527525) is 6-(4-benzylpiperidin-1-yl)-N-cyclopropylpyridine-3-carboxamide.
What is the SMILES notation for 6-(4-benzylpiperidin-1-yl)-N-cyclopropylpyridine-3-carboxamide?
The canonical SMILES for 6-(4-benzylpiperidin-1-yl)-N-cyclopropylpyridine-3-carboxamide is O=C(NC1CC1)c1ccc(N2CCC(Cc3ccccc3)CC2)nc1.
What is the InChIKey of 6-(4-benzylpiperidin-1-yl)-N-cyclopropylpyridine-3-carboxamide?
The InChIKey is OJHILPWXWVKWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c25-21(23-19-7-8-19)18-6-9-20(22-15-18)24-12-10-17(11-13-24)14-16-4-2-1-3-5-16/h1-6,9,15,17,19H,7-8,10-14H2,(H,23,25).
What are the key properties of 6-(4-benzylpiperidin-1-yl)-N-cyclopropylpyridine-3-carboxamide?
6-(4-benzylpiperidin-1-yl)-N-cyclopropylpyridine-3-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzylpiperidin-1-yl)-N-cyclopropylpyridine-3-carboxamide is sourced from PubChem (CID 44527525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).