1-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-(2-methoxyethylamino)ethanone;hydrochloride

C17H24Cl2N2O3 — CID 119724483

IUPAC1-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-(2-methoxyethylamino)ethanone;hydrochloride
SMILESCOCCNCC(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1.Cl
InChIInChI=1S/C17H23ClN2O3.ClH/c1-23-11-8-19-12-16(21)20-9-6-14(7-10-20)17(22)13-2-4-15(18)5-3-13;/h2-5,14,19H,6-12H2,1H3;1H
InChIKeyGGBAEZVXMQZFNA-UHFFFAOYSA-N
MW375.30 g/mol
LogP2.42
Rot. Bonds7

About 1-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-(2-methoxyethylamino)ethanone;hydrochloride

1-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-(2-methoxyethylamino)ethanone;hydrochloride (PubChem CID 119724483) has the molecular formula C17H24Cl2N2O3 and a molecular weight of 375.30 g/mol. Its IUPAC name is 1-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-(2-methoxyethylamino)ethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-(2-methoxyethylamino)ethanone;hydrochloride
PubChem CID119724483
Molecular FormulaC17H24Cl2N2O3
Molecular Weight375.30 g/mol
Exact Mass374.12
IUPAC Name1-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-(2-methoxyethylamino)ethanone;hydrochloride
SMILESCOCCNCC(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1.Cl
InChIInChI=1S/C17H23ClN2O3.ClH/c1-23-11-8-19-12-16(21)20-9-6-14(7-10-20)17(22)13-2-4-15(18)5-3-13;/h2-5,14,19H,6-12H2,1H3;1H
InChIKeyGGBAEZVXMQZFNA-UHFFFAOYSA-N
XLogP2.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-chlorobenzoyl)-N-(2-methoxyethyl)piperidine-1-carbothioamide
CID 3223569
1-[2-(2-methoxyethylamino)acetyl]piperidine-4-carboxylic acid
CID 79280780
N-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]-4-chlorobenzamide
CID 41308736
2-(2-methoxyethylamino)-1-(4-methylpiperidin-1-yl)ethanone;hydrochloride
CID 119675101
N-benzyl-1-[2-(2-methoxyethylamino)acetyl]piperidine-4-carboxamide
CID 119692938
4-[[2-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-oxoethyl]amino]benzonitrile
CID 48500248
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone
CID 79270314
1-[(4-chlorophenyl)methyl]-4-[2-(2-methoxyethylamino)acetyl]piperazin-2-one;hydrochloride
CID 119795968
2-(2-methoxyethylamino)-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 119874083
(2S)-2-amino-1-[4-(4-chlorobenzoyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119289954
1-(4-tert-butylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone
CID 79280949
N-[(1R)-1-(4-chlorophenyl)-3-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-oxopropyl]acetamide
CID 25477270

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-(2-methoxyethylamino)ethanone;hydrochloride?
The IUPAC name of 1-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-(2-methoxyethylamino)ethanone;hydrochloride (CID 119724483) is 1-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-(2-methoxyethylamino)ethanone;hydrochloride.
What is the SMILES notation for 1-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-(2-methoxyethylamino)ethanone;hydrochloride?
The canonical SMILES for 1-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-(2-methoxyethylamino)ethanone;hydrochloride is COCCNCC(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1.Cl.
What is the InChIKey of 1-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-(2-methoxyethylamino)ethanone;hydrochloride?
The InChIKey is GGBAEZVXMQZFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O3.ClH/c1-23-11-8-19-12-16(21)20-9-6-14(7-10-20)17(22)13-2-4-15(18)5-3-13;/h2-5,14,19H,6-12H2,1H3;1H.
What are the key properties of 1-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-(2-methoxyethylamino)ethanone;hydrochloride?
1-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-(2-methoxyethylamino)ethanone;hydrochloride has a molecular weight of 375.30 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-(2-methoxyethylamino)ethanone;hydrochloride is sourced from PubChem (CID 119724483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).