N-methyl-3-[(2R)-1-(oxan-4-ylmethyl)piperazin-2-yl]benzamide

C18H27N3O2 — CID 124968626

IUPACN-methyl-3-[(2R)-1-(oxan-4-ylmethyl)piperazin-2-yl]benzamide
SMILESCNC(=O)c1cccc([C@@H]2CNCCN2CC2CCOCC2)c1
InChIInChI=1S/C18H27N3O2/c1-19-18(22)16-4-2-3-15(11-16)17-12-20-7-8-21(17)13-14-5-9-23-10-6-14/h2-4,11,14,17,20H,5-10,12-13H2,1H3,(H,19,22)/t17-/m0/s1
InChIKeyJCNROHYUCIKNGW-KRWDZBQOSA-N
MW317.43 g/mol
LogP1.42
Rot. Bonds4

About N-methyl-3-[(2R)-1-(oxan-4-ylmethyl)piperazin-2-yl]benzamide

N-methyl-3-[(2R)-1-(oxan-4-ylmethyl)piperazin-2-yl]benzamide (PubChem CID 124968626) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-methyl-3-[(2R)-1-(oxan-4-ylmethyl)piperazin-2-yl]benzamide.

Molecular Properties

Compound NameN-methyl-3-[(2R)-1-(oxan-4-ylmethyl)piperazin-2-yl]benzamide
PubChem CID124968626
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-methyl-3-[(2R)-1-(oxan-4-ylmethyl)piperazin-2-yl]benzamide
SMILESCNC(=O)c1cccc([C@@H]2CNCCN2CC2CCOCC2)c1
InChIInChI=1S/C18H27N3O2/c1-19-18(22)16-4-2-3-15(11-16)17-12-20-7-8-21(17)13-14-5-9-23-10-6-14/h2-4,11,14,17,20H,5-10,12-13H2,1H3,(H,19,22)/t17-/m0/s1
InChIKeyJCNROHYUCIKNGW-KRWDZBQOSA-N
XLogP1.42
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(oxan-4-ylmethyl)-2-phenylpiperazine
CID 64834544
3-[1-[(4-fluorophenyl)methyl]piperazin-2-yl]-N-methylbenzamide
CID 110109482
N-methyl-3-[1-[(1-methylpyrazol-3-yl)methyl]piperazin-2-yl]benzamide
CID 110109471
N-methyl-3-[(2R)-1-[(1-methylpyrazol-3-yl)methyl]piperazin-2-yl]benzamide
CID 125018311
3-[1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]piperazin-2-yl]-N-methylbenzamide
CID 110122331
N-methyl-3-[(2S)-1-(pyridin-3-ylmethyl)piperazin-2-yl]benzamide
CID 124952417
N-methyl-3-[(2S)-1-[(3-methylimidazol-4-yl)methyl]piperazin-2-yl]benzamide
CID 124972395
N-methyl-3-[(2R)-1-(1,3-thiazol-4-ylmethyl)piperazin-2-yl]benzamide
CID 124962672
3-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-2-yl]-N-methylbenzamide
CID 110109496
3-[1-(3-fluorobenzoyl)piperazin-2-yl]-N-methylbenzamide;hydrochloride
CID 118741941
3-[1-[2-[(1,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperazin-2-yl]-N-methylbenzamide
CID 110122364
1-(cyclopropylmethyl)-2-(3-fluorophenyl)piperazine;hydrochloride
CID 120768681

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(2R)-1-(oxan-4-ylmethyl)piperazin-2-yl]benzamide?
The IUPAC name of N-methyl-3-[(2R)-1-(oxan-4-ylmethyl)piperazin-2-yl]benzamide (CID 124968626) is N-methyl-3-[(2R)-1-(oxan-4-ylmethyl)piperazin-2-yl]benzamide.
What is the SMILES notation for N-methyl-3-[(2R)-1-(oxan-4-ylmethyl)piperazin-2-yl]benzamide?
The canonical SMILES for N-methyl-3-[(2R)-1-(oxan-4-ylmethyl)piperazin-2-yl]benzamide is CNC(=O)c1cccc([C@@H]2CNCCN2CC2CCOCC2)c1.
What is the InChIKey of N-methyl-3-[(2R)-1-(oxan-4-ylmethyl)piperazin-2-yl]benzamide?
The InChIKey is JCNROHYUCIKNGW-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-19-18(22)16-4-2-3-15(11-16)17-12-20-7-8-21(17)13-14-5-9-23-10-6-14/h2-4,11,14,17,20H,5-10,12-13H2,1H3,(H,19,22)/t17-/m0/s1.
What are the key properties of N-methyl-3-[(2R)-1-(oxan-4-ylmethyl)piperazin-2-yl]benzamide?
N-methyl-3-[(2R)-1-(oxan-4-ylmethyl)piperazin-2-yl]benzamide has a molecular weight of 317.43 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(2R)-1-(oxan-4-ylmethyl)piperazin-2-yl]benzamide is sourced from PubChem (CID 124968626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).