N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]morpholine-2-carboxamide;hydrochloride

C16H21Cl2N3O3 — CID 119802816

IUPACN-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]morpholine-2-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCCN(c2ccccc2Cl)C1=O)C1CNCCO1
InChIInChI=1S/C16H20ClN3O3.ClH/c17-11-4-1-2-6-13(11)20-8-3-5-12(16(20)22)19-15(21)14-10-18-7-9-23-14;/h1-2,4,6,12,14,18H,3,5,7-10H2,(H,19,21);1H
InChIKeyOTOYWRJSCDZRJS-UHFFFAOYSA-N
MW374.27 g/mol
LogP1.36
Rot. Bonds3

About N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]morpholine-2-carboxamide;hydrochloride

N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]morpholine-2-carboxamide;hydrochloride (PubChem CID 119802816) has the molecular formula C16H21Cl2N3O3 and a molecular weight of 374.27 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]morpholine-2-carboxamide;hydrochloride
PubChem CID119802816
Molecular FormulaC16H21Cl2N3O3
Molecular Weight374.27 g/mol
Exact Mass373.10
IUPAC NameN-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]morpholine-2-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCCN(c2ccccc2Cl)C1=O)C1CNCCO1
InChIInChI=1S/C16H20ClN3O3.ClH/c17-11-4-1-2-6-13(11)20-8-3-5-12(16(20)22)19-15(21)14-10-18-7-9-23-14;/h1-2,4,6,12,14,18H,3,5,7-10H2,(H,19,21);1H
InChIKeyOTOYWRJSCDZRJS-UHFFFAOYSA-N
XLogP1.36
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.27
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4R)-N-[(3R)-1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide
CID 124701714
N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]piperidine-2-carboxamide;hydrochloride
CID 119321185
2-amino-N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120794855
N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-4-methoxypiperidine-4-carboxamide
CID 119802811
1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-ethylurea
CID 71994500
1-amino-N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]cyclohexane-1-carboxamide
CID 119334574
N-[1-(2-bromophenyl)pyrrolidin-3-yl]morpholine-2-carboxamide;dihydrochloride
CID 119884413
N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-2-methylsulfonylpropanamide
CID 136527689
N-(2-oxopiperidin-3-yl)morpholine-2-carboxamide
CID 62092732
N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]morpholine-2-carboxamide;hydrochloride
CID 119774356
1-(2-chlorophenyl)-3-hydroxypiperidin-2-one
CID 117014113
N-(1-benzylpiperidin-4-yl)morpholine-2-carboxamide
CID 119827619

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]morpholine-2-carboxamide;hydrochloride (CID 119802816) is N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]morpholine-2-carboxamide;hydrochloride is Cl.O=C(NC1CCCN(c2ccccc2Cl)C1=O)C1CNCCO1.
What is the InChIKey of N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is OTOYWRJSCDZRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O3.ClH/c17-11-4-1-2-6-13(11)20-8-3-5-12(16(20)22)19-15(21)14-10-18-7-9-23-14;/h1-2,4,6,12,14,18H,3,5,7-10H2,(H,19,21);1H.
What are the key properties of N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]morpholine-2-carboxamide;hydrochloride?
N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 374.27 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119802816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).