1-[2-(2-acetylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride

C16H21ClN2O4 — CID 119906608

IUPAC1-[2-(2-acetylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
SMILESCC(=O)c1ccccc1NC(=O)CN1CCC(C(=O)O)CC1.Cl
InChIInChI=1S/C16H20N2O4.ClH/c1-11(19)13-4-2-3-5-14(13)17-15(20)10-18-8-6-12(7-9-18)16(21)22;/h2-5,12H,6-10H2,1H3,(H,17,20)(H,21,22);1H
InChIKeyDJOIGZVKYRPTDT-UHFFFAOYSA-N
MW340.81 g/mol
LogP2.05
Rot. Bonds5

About 1-[2-(2-acetylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride

1-[2-(2-acetylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride (PubChem CID 119906608) has the molecular formula C16H21ClN2O4 and a molecular weight of 340.81 g/mol. Its IUPAC name is 1-[2-(2-acetylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-[2-(2-acetylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
PubChem CID119906608
Molecular FormulaC16H21ClN2O4
Molecular Weight340.81 g/mol
Exact Mass340.12
IUPAC Name1-[2-(2-acetylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
SMILESCC(=O)c1ccccc1NC(=O)CN1CCC(C(=O)O)CC1.Cl
InChIInChI=1S/C16H20N2O4.ClH/c1-11(19)13-4-2-3-5-14(13)17-15(20)10-18-8-6-12(7-9-18)16(21)22;/h2-5,12H,6-10H2,1H3,(H,17,20)(H,21,22);1H
InChIKeyDJOIGZVKYRPTDT-UHFFFAOYSA-N
XLogP2.05
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-acetylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63031856
N-(2-acetylphenyl)-2-(4-benzylpiperazin-1-yl)acetamide
CID 8902773
N-(2-acetylphenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106672145
2-[[2-(4-hydroxypiperidin-1-yl)acetyl]amino]-N-phenylbenzamide
CID 31480918
N-(2-acetylphenyl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
CID 41456108
N-(2-acetylphenyl)-2-[4-(2,2-difluoroethyl)-1,4-diazepan-1-yl]acetamide
CID 122138586
1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119908238
N-(2-acetylphenyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]acetamide
CID 35252913
1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide
CID 8530807
methyl 2-[[2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetyl]amino]benzoate
CID 11837383
N-(2-acetylphenyl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide
CID 167880702
N-(2-acetylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 8592653

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-acetylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride?
The IUPAC name of 1-[2-(2-acetylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride (CID 119906608) is 1-[2-(2-acetylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-[2-(2-acetylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 1-[2-(2-acetylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride is CC(=O)c1ccccc1NC(=O)CN1CCC(C(=O)O)CC1.Cl.
What is the InChIKey of 1-[2-(2-acetylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride?
The InChIKey is DJOIGZVKYRPTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4.ClH/c1-11(19)13-4-2-3-5-14(13)17-15(20)10-18-8-6-12(7-9-18)16(21)22;/h2-5,12H,6-10H2,1H3,(H,17,20)(H,21,22);1H.
What are the key properties of 1-[2-(2-acetylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride?
1-[2-(2-acetylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride has a molecular weight of 340.81 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-acetylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 119906608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).