N-[1-[2-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]benzamide

C18H21N3O2 — CID 136554673

IUPACN-[1-[2-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(c2ccnc(CO)c2)CC1)c1ccccc1
InChIInChI=1S/C18H21N3O2/c22-13-16-12-17(6-9-19-16)21-10-7-15(8-11-21)20-18(23)14-4-2-1-3-5-14/h1-6,9,12,15,22H,7-8,10-11,13H2,(H,20,23)
InChIKeyPLEQKRAXPRFMKZ-UHFFFAOYSA-N
MW311.38 g/mol
LogP1.97
Rot. Bonds4

About N-[1-[2-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]benzamide

N-[1-[2-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]benzamide (PubChem CID 136554673) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-[1-[2-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[2-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]benzamide
PubChem CID136554673
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC NameN-[1-[2-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(c2ccnc(CO)c2)CC1)c1ccccc1
InChIInChI=1S/C18H21N3O2/c22-13-16-12-17(6-9-19-16)21-10-7-15(8-11-21)20-18(23)14-4-2-1-3-5-14/h1-6,9,12,15,22H,7-8,10-11,13H2,(H,20,23)
InChIKeyPLEQKRAXPRFMKZ-UHFFFAOYSA-N
XLogP1.97
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(1-phenylpiperidin-4-yl)benzamide
CID 110735842
4-(4-methylpiperidin-1-yl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 46977137
N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697085
N-(1-quinoxalin-2-ylpiperidin-4-yl)benzamide
CID 33378138
2-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 115116340
ethane;N-(1-methylpiperidin-4-yl)benzamide
CID 142009687
4-methylsulfanyl-N-(1-phenylpiperidin-4-yl)benzamide
CID 86828685
4-(dimethylamino)-N-(1-phenylpiperidin-4-yl)benzamide
CID 110745886
N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]benzamide
CID 166217661
azane;N-[1-(4-pyrrolidin-1-yl-2-pyridinyl)pyrrolidin-2-yl]benzamide;hydrate
CID 175071538
N-cyclopentyl-4-[4-(hydroxymethyl)piperidin-1-yl]benzamide
CID 166847333
[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]carbamic acid
CID 67341843

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[2-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]benzamide (CID 136554673) is N-[1-[2-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[2-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[2-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]benzamide is O=C(NC1CCN(c2ccnc(CO)c2)CC1)c1ccccc1.
What is the InChIKey of N-[1-[2-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]benzamide?
The InChIKey is PLEQKRAXPRFMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-13-16-12-17(6-9-19-16)21-10-7-15(8-11-21)20-18(23)14-4-2-1-3-5-14/h1-6,9,12,15,22H,7-8,10-11,13H2,(H,20,23).
What are the key properties of N-[1-[2-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]benzamide?
N-[1-[2-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]benzamide has a molecular weight of 311.38 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(hydroxymethyl)-4-pyridinyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 136554673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).