(5-chloro-2-cyclopentyloxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone

C19H27ClN2O2 — CID 119546509

IUPAC(5-chloro-2-cyclopentyloxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2cc(Cl)ccc2OC2CCCC2)CC1
InChIInChI=1S/C19H27ClN2O2/c1-21-13-14-8-10-22(11-9-14)19(23)17-12-15(20)6-7-18(17)24-16-4-2-3-5-16/h6-7,12,14,16,21H,2-5,8-11,13H2,1H3
InChIKeyVEBCMCFRZRFCRG-UHFFFAOYSA-N
MW350.89 g/mol
LogP3.73
Rot. Bonds5

About (5-chloro-2-cyclopentyloxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone

(5-chloro-2-cyclopentyloxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 119546509) has the molecular formula C19H27ClN2O2 and a molecular weight of 350.89 g/mol. Its IUPAC name is (5-chloro-2-cyclopentyloxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2-cyclopentyloxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID119546509
Molecular FormulaC19H27ClN2O2
Molecular Weight350.89 g/mol
Exact Mass350.18
IUPAC Name(5-chloro-2-cyclopentyloxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2cc(Cl)ccc2OC2CCCC2)CC1
InChIInChI=1S/C19H27ClN2O2/c1-21-13-14-8-10-22(11-9-14)19(23)17-12-15(20)6-7-18(17)24-16-4-2-3-5-16/h6-7,12,14,16,21H,2-5,8-11,13H2,1H3
InChIKeyVEBCMCFRZRFCRG-UHFFFAOYSA-N
XLogP3.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-2-cyclopentyloxyphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119541982
(5-chloro-2-cyclopentyloxyphenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 119625007
(2-bromo-5-chlorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119546124
(5-chloro-2-propan-2-yloxyphenyl)-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124612547
(2-cyclohexyloxyphenyl)-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 125147466
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloro-2-cyclopentyloxyphenyl)methanone;hydrochloride
CID 120814057
(4-chloro-2-methoxyphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63263315
(3S)-1-(5-chloro-2-cyclopentyloxybenzoyl)piperidine-3-carboxylic acid
CID 99623082
5-chloro-2-cyclohexyloxybenzoic acid
CID 43141867
[5-chloro-2-(2-methoxyethoxy)phenyl]-[(3S)-3-(methylaminomethyl)piperidin-1-yl]methanone
CID 124686339
[4-(bromomethyl)piperidin-1-yl]-(5-chloro-2-methoxyphenyl)methanone
CID 80677434
(2-chloro-4-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 55173736

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-cyclopentyloxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-chloro-2-cyclopentyloxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone (CID 119546509) is (5-chloro-2-cyclopentyloxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-chloro-2-cyclopentyloxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-chloro-2-cyclopentyloxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone is CNCC1CCN(C(=O)c2cc(Cl)ccc2OC2CCCC2)CC1.
What is the InChIKey of (5-chloro-2-cyclopentyloxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is VEBCMCFRZRFCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O2/c1-21-13-14-8-10-22(11-9-14)19(23)17-12-15(20)6-7-18(17)24-16-4-2-3-5-16/h6-7,12,14,16,21H,2-5,8-11,13H2,1H3.
What are the key properties of (5-chloro-2-cyclopentyloxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
(5-chloro-2-cyclopentyloxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 350.89 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-cyclopentyloxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 119546509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).