N-[[(3S)-1-benzylpiperidin-3-yl]methyl]pyridine-4-carboxamide

C19H23N3O — CID 94779099

IUPACN-[[(3S)-1-benzylpiperidin-3-yl]methyl]pyridine-4-carboxamide
SMILESO=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)c1ccncc1
InChIInChI=1S/C19H23N3O/c23-19(18-8-10-20-11-9-18)21-13-17-7-4-12-22(15-17)14-16-5-2-1-3-6-16/h1-3,5-6,8-11,17H,4,7,12-15H2,(H,21,23)/t17-/m0/s1
InChIKeyJTHNIDZAISLVNH-KRWDZBQOSA-N
MW309.41 g/mol
LogP2.72
Rot. Bonds5

About N-[[(3S)-1-benzylpiperidin-3-yl]methyl]pyridine-4-carboxamide

N-[[(3S)-1-benzylpiperidin-3-yl]methyl]pyridine-4-carboxamide (PubChem CID 94779099) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[[(3S)-1-benzylpiperidin-3-yl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-1-benzylpiperidin-3-yl]methyl]pyridine-4-carboxamide
PubChem CID94779099
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-[[(3S)-1-benzylpiperidin-3-yl]methyl]pyridine-4-carboxamide
SMILESO=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)c1ccncc1
InChIInChI=1S/C19H23N3O/c23-19(18-8-10-20-11-9-18)21-13-17-7-4-12-22(15-17)14-16-5-2-1-3-6-16/h1-3,5-6,8-11,17H,4,7,12-15H2,(H,21,23)/t17-/m0/s1
InChIKeyJTHNIDZAISLVNH-KRWDZBQOSA-N
XLogP2.72
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 25289047
N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 97202083
3-amino-N-[(1-benzylpiperidin-3-yl)methyl]pyrazine-2-carboxamide
CID 71936440
3,5-dimethoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 45226416
N-[(1-benzylpiperidin-3-yl)methyl]acetamide
CID 10444612
2-methoxy-N-[[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 95222271
N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 97314958
4-phenyl-N-[[1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 72916739
4-phenyl-N-[[(3R)-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 97282396
2-amino-N-[[(3S)-1-benzylpiperidin-3-yl]methyl]acetamide
CID 96553013
N-[(4-benzylmorpholin-2-yl)methyl]pyridine-4-carboxamide
CID 43019906
N-[[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-3-yl]methyl]-4-phenylbenzamide
CID 45243187

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-benzylpiperidin-3-yl]methyl]pyridine-4-carboxamide?
The IUPAC name of N-[[(3S)-1-benzylpiperidin-3-yl]methyl]pyridine-4-carboxamide (CID 94779099) is N-[[(3S)-1-benzylpiperidin-3-yl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[[(3S)-1-benzylpiperidin-3-yl]methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[[(3S)-1-benzylpiperidin-3-yl]methyl]pyridine-4-carboxamide is O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)c1ccncc1.
What is the InChIKey of N-[[(3S)-1-benzylpiperidin-3-yl]methyl]pyridine-4-carboxamide?
The InChIKey is JTHNIDZAISLVNH-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23N3O/c23-19(18-8-10-20-11-9-18)21-13-17-7-4-12-22(15-17)14-16-5-2-1-3-6-16/h1-3,5-6,8-11,17H,4,7,12-15H2,(H,21,23)/t17-/m0/s1.
What are the key properties of N-[[(3S)-1-benzylpiperidin-3-yl]methyl]pyridine-4-carboxamide?
N-[[(3S)-1-benzylpiperidin-3-yl]methyl]pyridine-4-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-benzylpiperidin-3-yl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 94779099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).