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

C21H29ClN2O2 — CID 119625007

IUPAC(5-chloro-2-cyclopentyloxyphenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
SMILESO=C(c1cc(Cl)ccc1OC1CCCC1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C21H29ClN2O2/c22-16-7-8-20(26-18-3-1-2-4-18)19(13-16)21(25)24-11-9-17(10-12-24)23-14-15-5-6-15/h7-8,13,15,17-18,23H,1-6,9-12,14H2
InChIKeyCWILCNSKAKGUDE-UHFFFAOYSA-N
MW376.93 g/mol
LogP4.27
Rot. Bonds6

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

(5-chloro-2-cyclopentyloxyphenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone (PubChem CID 119625007) has the molecular formula C21H29ClN2O2 and a molecular weight of 376.93 g/mol. Its IUPAC name is (5-chloro-2-cyclopentyloxyphenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2-cyclopentyloxyphenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
PubChem CID119625007
Molecular FormulaC21H29ClN2O2
Molecular Weight376.93 g/mol
Exact Mass376.19
IUPAC Name(5-chloro-2-cyclopentyloxyphenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
SMILESO=C(c1cc(Cl)ccc1OC1CCCC1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C21H29ClN2O2/c22-16-7-8-20(26-18-3-1-2-4-18)19(13-16)21(25)24-11-9-17(10-12-24)23-14-15-5-6-15/h7-8,13,15,17-18,23H,1-6,9-12,14H2
InChIKeyCWILCNSKAKGUDE-UHFFFAOYSA-N
XLogP4.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.93
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-2-cyclopentyloxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119546509
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2,5-dichlorophenyl)methanone
CID 81487303
(5-chloro-2-fluorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119624175
(5-chloro-2-cyclopentyloxyphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119541982
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloro-2-cyclopentyloxyphenyl)methanone;hydrochloride
CID 120814057
(2-chlorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 81297532
(3S)-1-(5-chloro-2-cyclopentyloxybenzoyl)piperidine-3-carboxylic acid
CID 99623082
(2-chloro-5-hydroxyphenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 106502684
5-chloro-2-cyclohexyloxybenzoic acid
CID 43141867
[5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-thiomorpholin-4-ylmethanone
CID 42384375
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone;hydrochloride
CID 119621544
(2R)-4-(5-chloro-2-cyclopentyloxybenzoyl)morpholine-2-carboxylic acid
CID 125118569

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-cyclopentyloxyphenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone?
The IUPAC name of (5-chloro-2-cyclopentyloxyphenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone (CID 119625007) is (5-chloro-2-cyclopentyloxyphenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (5-chloro-2-cyclopentyloxyphenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone?
The canonical SMILES for (5-chloro-2-cyclopentyloxyphenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone is O=C(c1cc(Cl)ccc1OC1CCCC1)N1CCC(NCC2CC2)CC1.
What is the InChIKey of (5-chloro-2-cyclopentyloxyphenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone?
The InChIKey is CWILCNSKAKGUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN2O2/c22-16-7-8-20(26-18-3-1-2-4-18)19(13-16)21(25)24-11-9-17(10-12-24)23-14-15-5-6-15/h7-8,13,15,17-18,23H,1-6,9-12,14H2.
What are the key properties of (5-chloro-2-cyclopentyloxyphenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone?
(5-chloro-2-cyclopentyloxyphenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone has a molecular weight of 376.93 g/mol, XLogP of 4.27, 6 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-(cyclopropylmethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 119625007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).