N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide

C19H23N3O2 — CID 111520282

IUPACN-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1CN1CCC(O)CC1)c1cccnc1
InChIInChI=1S/C19H23N3O2/c23-18-7-10-22(11-8-18)14-17-5-2-1-4-15(17)13-21-19(24)16-6-3-9-20-12-16/h1-6,9,12,18,23H,7-8,10-11,13-14H2,(H,21,24)
InChIKeyXBJYWAMANXNWHL-UHFFFAOYSA-N
MW325.41 g/mol
LogP1.97
Rot. Bonds5

About N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide

N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 111520282) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide
PubChem CID111520282
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1CN1CCC(O)CC1)c1cccnc1
InChIInChI=1S/C19H23N3O2/c23-18-7-10-22(11-8-18)14-17-5-2-1-4-15(17)13-21-19(24)16-6-3-9-20-12-16/h1-6,9,12,18,23H,7-8,10-11,13-14H2,(H,21,24)
InChIKeyXBJYWAMANXNWHL-UHFFFAOYSA-N
XLogP1.97
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1-methylpyrazole-4-carboxamide
CID 111661814
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methylbenzamide
CID 111520307
3-fluoro-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 111520313
1-[[2-[(pyridin-3-ylmethylamino)methyl]phenyl]methyl]piperidin-4-ol
CID 71977852
2-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 119947378
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 111520289
2-(4-aminophenyl)-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 119895665
N-[2-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 154839761
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 56552164
4-(pyridin-3-ylmethoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 30853061
N-[2-(benzamidomethyl)phenyl]pyridine-3-carboxamide
CID 108926022
1-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide
CID 119895679

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide (CID 111520282) is N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide is O=C(NCc1ccccc1CN1CCC(O)CC1)c1cccnc1.
What is the InChIKey of N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is XBJYWAMANXNWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c23-18-7-10-22(11-8-18)14-17-5-2-1-4-15(17)13-21-19(24)16-6-3-9-20-12-16/h1-6,9,12,18,23H,7-8,10-11,13-14H2,(H,21,24).
What are the key properties of N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide?
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 111520282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).