4-cyclopentyloxy-3-methoxy-N-piperidin-3-ylbenzamide;hydrochloride

C18H27ClN2O3 — CID 119426527

IUPAC4-cyclopentyloxy-3-methoxy-N-piperidin-3-ylbenzamide;hydrochloride
SMILESCOc1cc(C(=O)NC2CCCNC2)ccc1OC1CCCC1.Cl
InChIInChI=1S/C18H26N2O3.ClH/c1-22-17-11-13(18(21)20-14-5-4-10-19-12-14)8-9-16(17)23-15-6-2-3-7-15;/h8-9,11,14-15,19H,2-7,10,12H2,1H3,(H,20,21);1H
InChIKeyDAQGRVYTGJUVDI-UHFFFAOYSA-N
MW354.88 g/mol
LogP2.92
Rot. Bonds5

About 4-cyclopentyloxy-3-methoxy-N-piperidin-3-ylbenzamide;hydrochloride

4-cyclopentyloxy-3-methoxy-N-piperidin-3-ylbenzamide;hydrochloride (PubChem CID 119426527) has the molecular formula C18H27ClN2O3 and a molecular weight of 354.88 g/mol. Its IUPAC name is 4-cyclopentyloxy-3-methoxy-N-piperidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-cyclopentyloxy-3-methoxy-N-piperidin-3-ylbenzamide;hydrochloride
PubChem CID119426527
Molecular FormulaC18H27ClN2O3
Molecular Weight354.88 g/mol
Exact Mass354.17
IUPAC Name4-cyclopentyloxy-3-methoxy-N-piperidin-3-ylbenzamide;hydrochloride
SMILESCOc1cc(C(=O)NC2CCCNC2)ccc1OC1CCCC1.Cl
InChIInChI=1S/C18H26N2O3.ClH/c1-22-17-11-13(18(21)20-14-5-4-10-19-12-14)8-9-16(17)23-15-6-2-3-7-15;/h8-9,11,14-15,19H,2-7,10,12H2,1H3,(H,20,21);1H
InChIKeyDAQGRVYTGJUVDI-UHFFFAOYSA-N
XLogP2.92
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-pyrrolidin-3-ylbenzamide;dihydrochloride
CID 154900150
4-(2-amino-2-oxoethoxy)-3-methoxy-N-piperidin-3-ylbenzamide
CID 119425018
3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-piperidin-3-ylbenzamide
CID 119425199
3,5-dimethoxy-4-methyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119429058
4-methoxy-3-nitro-N-[(3S)-piperidin-3-yl]benzamide
CID 103866718
3-(cyclopentylsulfamoyl)-4-methoxy-N-pyrrolidin-3-ylbenzamide
CID 119450739
3-(azepan-1-ylsulfonyl)-4-methoxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426236
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
5-chloro-2-cyclopentyloxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428659
2,4,5-trimethoxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426612
4-cyclopentyloxy-3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119552147
3-cyclopentyloxy-4-methoxy-N-[(3S)-5-oxopyrrolidin-3-yl]benzamide
CID 10313807

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-3-methoxy-N-piperidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 4-cyclopentyloxy-3-methoxy-N-piperidin-3-ylbenzamide;hydrochloride (CID 119426527) is 4-cyclopentyloxy-3-methoxy-N-piperidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 4-cyclopentyloxy-3-methoxy-N-piperidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 4-cyclopentyloxy-3-methoxy-N-piperidin-3-ylbenzamide;hydrochloride is COc1cc(C(=O)NC2CCCNC2)ccc1OC1CCCC1.Cl.
What is the InChIKey of 4-cyclopentyloxy-3-methoxy-N-piperidin-3-ylbenzamide;hydrochloride?
The InChIKey is DAQGRVYTGJUVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3.ClH/c1-22-17-11-13(18(21)20-14-5-4-10-19-12-14)8-9-16(17)23-15-6-2-3-7-15;/h8-9,11,14-15,19H,2-7,10,12H2,1H3,(H,20,21);1H.
What are the key properties of 4-cyclopentyloxy-3-methoxy-N-piperidin-3-ylbenzamide;hydrochloride?
4-cyclopentyloxy-3-methoxy-N-piperidin-3-ylbenzamide;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-3-methoxy-N-piperidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119426527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).