3-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-5-methylbenzamide

C16H22N2O3 — CID 90757369

IUPAC3-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-5-methylbenzamide
SMILESCc1cc(C(N)=O)cc(C(=O)N2CCCCC2CCO)c1
InChIInChI=1S/C16H22N2O3/c1-11-8-12(15(17)20)10-13(9-11)16(21)18-6-3-2-4-14(18)5-7-19/h8-10,14,19H,2-7H2,1H3,(H2,17,20)
InChIKeyNJKYRGOWDGYAFN-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.47
Rot. Bonds4

About 3-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-5-methylbenzamide

3-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-5-methylbenzamide (PubChem CID 90757369) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-5-methylbenzamide.

Molecular Properties

Compound Name3-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-5-methylbenzamide
PubChem CID90757369
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-5-methylbenzamide
SMILESCc1cc(C(N)=O)cc(C(=O)N2CCCCC2CCO)c1
InChIInChI=1S/C16H22N2O3/c1-11-8-12(15(17)20)10-13(9-11)16(21)18-6-3-2-4-14(18)5-7-19/h8-10,14,19H,2-7H2,1H3,(H2,17,20)
InChIKeyNJKYRGOWDGYAFN-UHFFFAOYSA-N
XLogP1.47
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2S)-2-ethylpyrrolidine-1-carbonyl]-5-methylbenzamide
CID 142673349
(2,6-dimethyl-4-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 77081763
3-[1-(3-fluoro-5-methylbenzoyl)piperidin-2-yl]propanoic acid
CID 115924049
(3-amino-4,5-dichlorophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 61091726
(3-chloro-5-methylphenyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116635898
[2-(3-bromopropyl)pyrrolidin-1-yl]-(3,5-dimethylphenyl)methanone
CID 80675864
(4-amino-3-hydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107073768
(5-amino-2,4-dimethylphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 102704877
[2-(2-hydroxyethyl)piperidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 84580383
(3-chloro-5-methylphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 71025506
3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-5-methylbenzoic acid
CID 141091395
[2-(2-hydroxyethyl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 60742117

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-5-methylbenzamide?
The IUPAC name of 3-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-5-methylbenzamide (CID 90757369) is 3-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-5-methylbenzamide.
What is the SMILES notation for 3-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-5-methylbenzamide?
The canonical SMILES for 3-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-5-methylbenzamide is Cc1cc(C(N)=O)cc(C(=O)N2CCCCC2CCO)c1.
What is the InChIKey of 3-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-5-methylbenzamide?
The InChIKey is NJKYRGOWDGYAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-8-12(15(17)20)10-13(9-11)16(21)18-6-3-2-4-14(18)5-7-19/h8-10,14,19H,2-7H2,1H3,(H2,17,20).
What are the key properties of 3-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-5-methylbenzamide?
3-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-5-methylbenzamide has a molecular weight of 290.36 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-5-methylbenzamide is sourced from PubChem (CID 90757369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).