3,5-dichloro-4-methyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]benzamide

C18H24Cl2N2O2 — CID 97200263

IUPAC3,5-dichloro-4-methyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]benzamide
SMILESCc1c(Cl)cc(C(=O)NC2CCN(C[C@H]3CCCO3)CC2)cc1Cl
InChIInChI=1S/C18H24Cl2N2O2/c1-12-16(19)9-13(10-17(12)20)18(23)21-14-4-6-22(7-5-14)11-15-3-2-8-24-15/h9-10,14-15H,2-8,11H2,1H3,(H,21,23)/t15-/m1/s1
InChIKeyNQZKSWUYMGSRNG-OAHLLOKOSA-N
MW371.31 g/mol
LogP3.68
Rot. Bonds4

About 3,5-dichloro-4-methyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]benzamide

3,5-dichloro-4-methyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]benzamide (PubChem CID 97200263) has the molecular formula C18H24Cl2N2O2 and a molecular weight of 371.31 g/mol. Its IUPAC name is 3,5-dichloro-4-methyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-4-methyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]benzamide
PubChem CID97200263
Molecular FormulaC18H24Cl2N2O2
Molecular Weight371.31 g/mol
Exact Mass370.12
IUPAC Name3,5-dichloro-4-methyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]benzamide
SMILESCc1c(Cl)cc(C(=O)NC2CCN(C[C@H]3CCCO3)CC2)cc1Cl
InChIInChI=1S/C18H24Cl2N2O2/c1-12-16(19)9-13(10-17(12)20)18(23)21-14-4-6-22(7-5-14)11-15-3-2-8-24-15/h9-10,14-15H,2-8,11H2,1H3,(H,21,23)/t15-/m1/s1
InChIKeyNQZKSWUYMGSRNG-OAHLLOKOSA-N
XLogP3.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.31
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-4-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]benzamide
CID 72896765
4-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 146134662
N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 99929059
3,5-dimethyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1,2-oxazole-4-carboxamide
CID 91793749
2,5-dimethyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 125165824
1-ethyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrazole-3-carboxamide
CID 125172263
N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-3-pyrimidin-5-ylbenzamide
CID 125157089
4-methyl-1-(3-methylbutyl)-2-oxo-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 172664709
1-(4-fluorophenyl)-4-methyl-2-oxo-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 172660412
7-fluoro-2-methyl-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]quinoline-4-carboxamide
CID 96575727
N-[2-methyl-5-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]carbamoylamino]phenyl]propanamide
CID 74243085
7-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 118770888

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-methyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]benzamide?
The IUPAC name of 3,5-dichloro-4-methyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]benzamide (CID 97200263) is 3,5-dichloro-4-methyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 3,5-dichloro-4-methyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]benzamide?
The canonical SMILES for 3,5-dichloro-4-methyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]benzamide is Cc1c(Cl)cc(C(=O)NC2CCN(C[C@H]3CCCO3)CC2)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-methyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]benzamide?
The InChIKey is NQZKSWUYMGSRNG-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24Cl2N2O2/c1-12-16(19)9-13(10-17(12)20)18(23)21-14-4-6-22(7-5-14)11-15-3-2-8-24-15/h9-10,14-15H,2-8,11H2,1H3,(H,21,23)/t15-/m1/s1.
What are the key properties of 3,5-dichloro-4-methyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]benzamide?
3,5-dichloro-4-methyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]benzamide has a molecular weight of 371.31 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-methyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 97200263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).