N-[2-(4-chloroanilino)-2-oxoethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride

C16H23Cl2N3O3 — CID 120625334

IUPACN-[2-(4-chloroanilino)-2-oxoethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NCC(=O)Nc2ccc(Cl)cc2)CCNCC1.Cl
InChIInChI=1S/C16H22ClN3O3.ClH/c1-23-11-16(6-8-18-9-7-16)15(22)19-10-14(21)20-13-4-2-12(17)3-5-13;/h2-5,18H,6-11H2,1H3,(H,19,22)(H,20,21);1H
InChIKeyQUARGMNGUHTHCJ-UHFFFAOYSA-N
MW376.28 g/mol
LogP1.83
Rot. Bonds6

About N-[2-(4-chloroanilino)-2-oxoethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride

N-[2-(4-chloroanilino)-2-oxoethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 120625334) has the molecular formula C16H23Cl2N3O3 and a molecular weight of 376.28 g/mol. Its IUPAC name is N-[2-(4-chloroanilino)-2-oxoethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-chloroanilino)-2-oxoethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
PubChem CID120625334
Molecular FormulaC16H23Cl2N3O3
Molecular Weight376.28 g/mol
Exact Mass375.11
IUPAC NameN-[2-(4-chloroanilino)-2-oxoethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NCC(=O)Nc2ccc(Cl)cc2)CCNCC1.Cl
InChIInChI=1S/C16H22ClN3O3.ClH/c1-23-11-16(6-8-18-9-7-16)15(22)19-10-14(21)20-13-4-2-12(17)3-5-13;/h2-5,18H,6-11H2,1H3,(H,19,22)(H,20,21);1H
InChIKeyQUARGMNGUHTHCJ-UHFFFAOYSA-N
XLogP1.83
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.28
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-anilino-2-oxoethyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120624225
4-(methoxymethyl)-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120630144
N-(3-anilino-3-oxopropyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120632986
4-(methoxymethyl)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide;hydrochloride
CID 120630106
N-[4-(dimethylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120617739
N-[4-(ethylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120621167
ethyl 4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]benzoate;hydrochloride
CID 120616304
N-ethyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616337
N-(4-anilinophenyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120616741
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120621371
N-[4-(2-amino-2-oxoethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120620858
4-(methoxymethyl)-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120633664

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloroanilino)-2-oxoethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(4-chloroanilino)-2-oxoethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (CID 120625334) is N-[2-(4-chloroanilino)-2-oxoethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(4-chloroanilino)-2-oxoethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(4-chloroanilino)-2-oxoethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is COCC1(C(=O)NCC(=O)Nc2ccc(Cl)cc2)CCNCC1.Cl.
What is the InChIKey of N-[2-(4-chloroanilino)-2-oxoethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is QUARGMNGUHTHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O3.ClH/c1-23-11-16(6-8-18-9-7-16)15(22)19-10-14(21)20-13-4-2-12(17)3-5-13;/h2-5,18H,6-11H2,1H3,(H,19,22)(H,20,21);1H.
What are the key properties of N-[2-(4-chloroanilino)-2-oxoethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
N-[2-(4-chloroanilino)-2-oxoethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 376.28 g/mol, XLogP of 1.83, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloroanilino)-2-oxoethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120625334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).