2-amino-1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride

C19H28ClN3O4 — CID 120786223

IUPAC2-amino-1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride
SMILESCOc1ccc(C(=O)N2CCN(C(=O)C(N)C3CCOCC3)CC2)cc1.Cl
InChIInChI=1S/C19H27N3O4.ClH/c1-25-16-4-2-15(3-5-16)18(23)21-8-10-22(11-9-21)19(24)17(20)14-6-12-26-13-7-14;/h2-5,14,17H,6-13,20H2,1H3;1H
InChIKeyINNIQVPMDHOKSI-UHFFFAOYSA-N
MW397.90 g/mol
LogP1.16
Rot. Bonds4

About 2-amino-1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride

2-amino-1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride (PubChem CID 120786223) has the molecular formula C19H28ClN3O4 and a molecular weight of 397.90 g/mol. Its IUPAC name is 2-amino-1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-amino-1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride
PubChem CID120786223
Molecular FormulaC19H28ClN3O4
Molecular Weight397.90 g/mol
Exact Mass397.18
IUPAC Name2-amino-1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride
SMILESCOc1ccc(C(=O)N2CCN(C(=O)C(N)C3CCOCC3)CC2)cc1.Cl
InChIInChI=1S/C19H27N3O4.ClH/c1-25-16-4-2-15(3-5-16)18(23)21-8-10-22(11-9-21)19(24)17(20)14-6-12-26-13-7-14;/h2-5,14,17H,6-13,20H2,1H3;1H
InChIKeyINNIQVPMDHOKSI-UHFFFAOYSA-N
XLogP1.16
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.90
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride
CID 120788661
2-amino-1-[4-(3,5-dimethoxyphenyl)-1,4-diazepan-1-yl]-2-(oxan-4-yl)ethanone;dihydrochloride
CID 120801423
2-amino-1-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride
CID 120786261
4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide;hydrochloride
CID 120782841
2-amino-1-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone
CID 120801420
2-amino-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone
CID 120786234
2-amino-1-[4-(3-methoxyphenyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone
CID 120791142
2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone
CID 120796728
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
2-amino-1-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-(oxan-4-yl)ethanone
CID 120790062
[4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 120922370
2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(oxan-4-yl)ethanone
CID 120790812

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride?
The IUPAC name of 2-amino-1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride (CID 120786223) is 2-amino-1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-amino-1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride?
The canonical SMILES for 2-amino-1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride is COc1ccc(C(=O)N2CCN(C(=O)C(N)C3CCOCC3)CC2)cc1.Cl.
What is the InChIKey of 2-amino-1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride?
The InChIKey is INNIQVPMDHOKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4.ClH/c1-25-16-4-2-15(3-5-16)18(23)21-8-10-22(11-9-21)19(24)17(20)14-6-12-26-13-7-14;/h2-5,14,17H,6-13,20H2,1H3;1H.
What are the key properties of 2-amino-1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride?
2-amino-1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride has a molecular weight of 397.90 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride is sourced from PubChem (CID 120786223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).