2-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)benzamide

C14H20N2O2 — CID 18337116

IUPAC2-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(NC(=O)c2ccccc2CO)CC1
InChIInChI=1S/C14H20N2O2/c1-16-8-6-12(7-9-16)15-14(18)13-5-3-2-4-11(13)10-17/h2-5,12,17H,6-10H2,1H3,(H,15,18)
InChIKeyPQIPTUSCZYCDGJ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.00
Rot. Bonds3

About 2-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)benzamide

2-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 18337116) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID18337116
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(NC(=O)c2ccccc2CO)CC1
InChIInChI=1S/C14H20N2O2/c1-16-8-6-12(7-9-16)15-14(18)13-5-3-2-4-11(13)10-17/h2-5,12,17H,6-10H2,1H3,(H,15,18)
InChIKeyPQIPTUSCZYCDGJ-UHFFFAOYSA-N
XLogP1.00
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-Phenylbutan-2-yl)carbamoyl]benzoic acid
CID 3606549
2-({[1-(Ethoxycarbonyl)-4-piperidinyl]amino}carbonyl)benzoic acid
CID 2812260
N-benzyl-2-(hydroxymethyl)benzamide
CID 826787
2-{[(2-Methylbenzyl)amino]carbonyl}benzoic acid
CID 7315336
O-(Piperidinocarbonyl)-benzoic acid
CID 30108
Benzoic acid, 2-(((3-(((2,5-dihydro-2,2,5,5-tetramethyl-1H-pyrrol-3-yl)carbonyl)amino)propyl)amino)carbonyl)-
CID 56706
2-((Bis(1-methylethyl)amino)carbonyl)benzoic acid
CID 209756
2-(4-Methylpiperazine-1-carbonyl)benzoic acid
CID 300505
Ethyl 4-[[5-(cyclopentylcarbamoyl)-2-(hydroxymethyl)benzoyl]amino]piperidine-1-carboxylate
CID 5307187
Ethyl 4-{[5-{[(1-benzylpiperidin-4-yl)amino]carbonyl}-2-(hydroxymethyl)benzoyl]amino}piperidine-1-carboxylate
CID 16193712
(S)-N-(1-(1-hydroxy-1-phenylpropyl)piperidin-4-yl)-1-naphthamide
CID 44426500
[4-(5-Hydroxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)piperidin-1-yl]-phenylmethanone
CID 145977798

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 2-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)benzamide (CID 18337116) is 2-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 2-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)benzamide is CN1CCC(NC(=O)c2ccccc2CO)CC1.
What is the InChIKey of 2-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is PQIPTUSCZYCDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-16-8-6-12(7-9-16)15-14(18)13-5-3-2-4-11(13)10-17/h2-5,12,17H,6-10H2,1H3,(H,15,18).
What are the key properties of 2-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)benzamide?
2-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 248.33 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 18337116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).