N-[2-(hydroxymethyl)-6-methylphenyl]-2-piperazin-1-ylacetamide

C14H21N3O2 — CID 91799726

IUPACN-[2-(hydroxymethyl)-6-methylphenyl]-2-piperazin-1-ylacetamide
SMILESCc1cccc(CO)c1NC(=O)CN1CCNCC1
InChIInChI=1S/C14H21N3O2/c1-11-3-2-4-12(10-18)14(11)16-13(19)9-17-7-5-15-6-8-17/h2-4,15,18H,5-10H2,1H3,(H,16,19)
InChIKeyHFQNBAUUNYKQRF-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.33
Rot. Bonds4

About N-[2-(hydroxymethyl)-6-methylphenyl]-2-piperazin-1-ylacetamide

N-[2-(hydroxymethyl)-6-methylphenyl]-2-piperazin-1-ylacetamide (PubChem CID 91799726) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)-6-methylphenyl]-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)-6-methylphenyl]-2-piperazin-1-ylacetamide
PubChem CID91799726
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-[2-(hydroxymethyl)-6-methylphenyl]-2-piperazin-1-ylacetamide
SMILESCc1cccc(CO)c1NC(=O)CN1CCNCC1
InChIInChI=1S/C14H21N3O2/c1-11-3-2-4-12(10-18)14(11)16-13(19)9-17-7-5-15-6-8-17/h2-4,15,18H,5-10H2,1H3,(H,16,19)
InChIKeyHFQNBAUUNYKQRF-UHFFFAOYSA-N
XLogP0.33
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Cvt-2738
CID 2608606
2-Acetamidobenzyl alcohol
CID 339292
(2-(4-Methylpiperazin-1-yl)phenyl)methanol
CID 2795567
O-Desaryl Ranolazine
CID 46781239
N-[4-(dimethylamino)phenyl]-2-(4-hydroxy-4-phenyl-piperidino)acetamide
CID 3228763
N-(4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)-N'-methylethanediamide
CID 54677750
7-hydroxy-N-(3-hydroxypropyl)-5-oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-6-carboxamide
CID 54686431
N-(7-hydroxy-5-oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinolin-6-yl)acetamide
CID 54694324
N-(2-aminoethyl)-7-hydroxy-5-oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-6-carboxamide hydrochloride
CID 54718545
N-(2,6-Dimethylphenyl)-1-(3-hydroxypropyl)piperidine-2-carboximidic acid
CID 3060810
Ranolazine metabolite RS-88250
CID 169502260
N-(2-(ethylamino)ethyl)-1-hydroxy-3-oxo-3,5,6,7-tetrahydropyrido[3,2,1-ij]quinoline-2-carboxamide hydrochloride
CID 54686759

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)-6-methylphenyl]-2-piperazin-1-ylacetamide?
The IUPAC name of N-[2-(hydroxymethyl)-6-methylphenyl]-2-piperazin-1-ylacetamide (CID 91799726) is N-[2-(hydroxymethyl)-6-methylphenyl]-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-[2-(hydroxymethyl)-6-methylphenyl]-2-piperazin-1-ylacetamide?
The canonical SMILES for N-[2-(hydroxymethyl)-6-methylphenyl]-2-piperazin-1-ylacetamide is Cc1cccc(CO)c1NC(=O)CN1CCNCC1.
What is the InChIKey of N-[2-(hydroxymethyl)-6-methylphenyl]-2-piperazin-1-ylacetamide?
The InChIKey is HFQNBAUUNYKQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-11-3-2-4-12(10-18)14(11)16-13(19)9-17-7-5-15-6-8-17/h2-4,15,18H,5-10H2,1H3,(H,16,19).
What are the key properties of N-[2-(hydroxymethyl)-6-methylphenyl]-2-piperazin-1-ylacetamide?
N-[2-(hydroxymethyl)-6-methylphenyl]-2-piperazin-1-ylacetamide has a molecular weight of 263.34 g/mol, XLogP of 0.33, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)-6-methylphenyl]-2-piperazin-1-ylacetamide is sourced from PubChem (CID 91799726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).