5-chloro-2-cyclopentyloxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride

C20H30Cl2N2O3 — CID 120889744

IUPAC5-chloro-2-cyclopentyloxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
SMILESCOCC1(CNC(=O)c2cc(Cl)ccc2OC2CCCC2)CCNCC1.Cl
InChIInChI=1S/C20H29ClN2O3.ClH/c1-25-14-20(8-10-22-11-9-20)13-23-19(24)17-12-15(21)6-7-18(17)26-16-4-2-3-5-16;/h6-7,12,16,22H,2-5,8-11,13-14H2,1H3,(H,23,24);1H
InChIKeyNZSFMYMPQZFMRL-UHFFFAOYSA-N
MW417.38 g/mol
LogP3.83
Rot. Bonds7

About 5-chloro-2-cyclopentyloxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride

5-chloro-2-cyclopentyloxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride (PubChem CID 120889744) has the molecular formula C20H30Cl2N2O3 and a molecular weight of 417.38 g/mol. Its IUPAC name is 5-chloro-2-cyclopentyloxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride.

Molecular Properties

Compound Name5-chloro-2-cyclopentyloxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
PubChem CID120889744
Molecular FormulaC20H30Cl2N2O3
Molecular Weight417.38 g/mol
Exact Mass416.16
IUPAC Name5-chloro-2-cyclopentyloxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
SMILESCOCC1(CNC(=O)c2cc(Cl)ccc2OC2CCCC2)CCNCC1.Cl
InChIInChI=1S/C20H29ClN2O3.ClH/c1-25-14-20(8-10-22-11-9-20)13-23-19(24)17-12-15(21)6-7-18(17)26-16-4-2-3-5-16;/h6-7,12,16,22H,2-5,8-11,13-14H2,1H3,(H,23,24);1H
InChIKeyNZSFMYMPQZFMRL-UHFFFAOYSA-N
XLogP3.83
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.38
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopentyloxy-3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120887531
2-(5-chloro-2-methoxyphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120891160
3-cyclopentyloxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890417
4-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-nitrobenzamide;hydrochloride
CID 120887351
4,5-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide
CID 120891978
4-bromo-2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120890726
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888662
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide;hydrochloride
CID 120888347
5-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 120890544
2-(2,4-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride
CID 120888337
2-(difluoromethoxy)-4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890029
5-chloro-2-cyclopentyloxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428659

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-cyclopentyloxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride?
The IUPAC name of 5-chloro-2-cyclopentyloxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride (CID 120889744) is 5-chloro-2-cyclopentyloxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride.
What is the SMILES notation for 5-chloro-2-cyclopentyloxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride?
The canonical SMILES for 5-chloro-2-cyclopentyloxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride is COCC1(CNC(=O)c2cc(Cl)ccc2OC2CCCC2)CCNCC1.Cl.
What is the InChIKey of 5-chloro-2-cyclopentyloxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride?
The InChIKey is NZSFMYMPQZFMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN2O3.ClH/c1-25-14-20(8-10-22-11-9-20)13-23-19(24)17-12-15(21)6-7-18(17)26-16-4-2-3-5-16;/h6-7,12,16,22H,2-5,8-11,13-14H2,1H3,(H,23,24);1H.
What are the key properties of 5-chloro-2-cyclopentyloxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride?
5-chloro-2-cyclopentyloxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride has a molecular weight of 417.38 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-cyclopentyloxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride is sourced from PubChem (CID 120889744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).