(3-aminocyclohexyl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone;hydrochloride

C19H28ClN3O3 — CID 119727471

IUPAC(3-aminocyclohexyl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone;hydrochloride
SMILESCOc1cccc(C(=O)N2CCN(C(=O)C3CCCC(N)C3)CC2)c1.Cl
InChIInChI=1S/C19H27N3O3.ClH/c1-25-17-7-3-5-15(13-17)19(24)22-10-8-21(9-11-22)18(23)14-4-2-6-16(20)12-14;/h3,5,7,13-14,16H,2,4,6,8-12,20H2,1H3;1H
InChIKeyGXMLFUVJWPSFEF-UHFFFAOYSA-N
MW381.90 g/mol
LogP1.92
Rot. Bonds3

About (3-aminocyclohexyl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone;hydrochloride

(3-aminocyclohexyl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 119727471) has the molecular formula C19H28ClN3O3 and a molecular weight of 381.90 g/mol. Its IUPAC name is (3-aminocyclohexyl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminocyclohexyl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone;hydrochloride
PubChem CID119727471
Molecular FormulaC19H28ClN3O3
Molecular Weight381.90 g/mol
Exact Mass381.18
IUPAC Name(3-aminocyclohexyl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone;hydrochloride
SMILESCOc1cccc(C(=O)N2CCN(C(=O)C3CCCC(N)C3)CC2)c1.Cl
InChIInChI=1S/C19H27N3O3.ClH/c1-25-17-7-3-5-15(13-17)19(24)22-10-8-21(9-11-22)18(23)14-4-2-6-16(20)12-14;/h3,5,7,13-14,16H,2,4,6,8-12,20H2,1H3;1H
InChIKeyGXMLFUVJWPSFEF-UHFFFAOYSA-N
XLogP1.92
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.90
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(9-amino-3-bicyclo[3.3.1]nonanyl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone
CID 120985092
(3-aminocyclohexyl)-[4-(3-methylsulfonylbenzoyl)piperazin-1-yl]methanone
CID 119791178
[(1S,3S)-3-aminocyclopentyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 124691079
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
(3-aminocyclohexyl)-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 119710030
2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 119181198
(3-aminocyclohexyl)-[4-(3,5-dimethoxyanilino)piperidin-1-yl]methanone
CID 119898033
(4-cycloheptylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 113074909
(3-methoxyphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 110868482
(4-hydroxypyrrolidin-2-yl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 119727479
[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 110798483
[3-[4-(cyclohexanecarbonyl)-1,4-diazepane-1-carbonyl]phenyl] acetate
CID 108543486

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclohexyl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of (3-aminocyclohexyl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone;hydrochloride (CID 119727471) is (3-aminocyclohexyl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (3-aminocyclohexyl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for (3-aminocyclohexyl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone;hydrochloride is COc1cccc(C(=O)N2CCN(C(=O)C3CCCC(N)C3)CC2)c1.Cl.
What is the InChIKey of (3-aminocyclohexyl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone;hydrochloride?
The InChIKey is GXMLFUVJWPSFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3.ClH/c1-25-17-7-3-5-15(13-17)19(24)22-10-8-21(9-11-22)18(23)14-4-2-6-16(20)12-14;/h3,5,7,13-14,16H,2,4,6,8-12,20H2,1H3;1H.
What are the key properties of (3-aminocyclohexyl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone;hydrochloride?
(3-aminocyclohexyl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 381.90 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclohexyl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119727471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).