N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]piperidine-2-carboxamide;hydrochloride

C17H22ClN3O3 — CID 119305342

IUPACN-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccccc1CN1C(=O)CCC1=O)C1CCCCN1
InChIInChI=1S/C17H21N3O3.ClH/c21-15-8-9-16(22)20(15)11-12-5-1-2-6-13(12)19-17(23)14-7-3-4-10-18-14;/h1-2,5-6,14,18H,3-4,7-11H2,(H,19,23);1H
InChIKeyQZHFAJKMSGDRJU-UHFFFAOYSA-N
MW351.83 g/mol
LogP1.84
Rot. Bonds4

About N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]piperidine-2-carboxamide;hydrochloride

N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119305342) has the molecular formula C17H22ClN3O3 and a molecular weight of 351.83 g/mol. Its IUPAC name is N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119305342
Molecular FormulaC17H22ClN3O3
Molecular Weight351.83 g/mol
Exact Mass351.13
IUPAC NameN-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccccc1CN1C(=O)CCC1=O)C1CCCCN1
InChIInChI=1S/C17H21N3O3.ClH/c21-15-8-9-16(22)20(15)11-12-5-1-2-6-13(12)19-17(23)14-7-3-4-10-18-14;/h1-2,5-6,14,18H,3-4,7-11H2,(H,19,23);1H
InChIKeyQZHFAJKMSGDRJU-UHFFFAOYSA-N
XLogP1.84
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide
CID 43710720
2-[2-(azepane-2-carbonylamino)phenyl]acetic acid
CID 64568355
2-[2-(pyrrolidine-2-carbonylamino)phenyl]acetic acid
CID 62534786
N-[2-(2-amino-2-oxoethyl)phenyl]azepane-2-carboxamide
CID 64563986
(2R)-N-[2-[(dimethylamino)methyl]phenyl]piperidine-2-carboxamide
CID 104912781
1-cyclooctyl-3-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]urea
CID 47997599
(2R)-N-(2-hydroxyphenyl)piperidine-2-carboxamide
CID 104694666
N-(2-fluorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119262310
(2S)-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]piperidine-2-carboxamide
CID 131930636
N-[2-(methoxymethyl)phenyl]azepane-2-carboxamide
CID 64563598
N-(2-acetylphenyl)piperidine-2-carboxamide
CID 110462300
N-(2-bromophenyl)piperidine-2-carboxamide
CID 18071832

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]piperidine-2-carboxamide;hydrochloride (CID 119305342) is N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]piperidine-2-carboxamide;hydrochloride is Cl.O=C(Nc1ccccc1CN1C(=O)CCC1=O)C1CCCCN1.
What is the InChIKey of N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is QZHFAJKMSGDRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3.ClH/c21-15-8-9-16(22)20(15)11-12-5-1-2-6-13(12)19-17(23)14-7-3-4-10-18-14;/h1-2,5-6,14,18H,3-4,7-11H2,(H,19,23);1H.
What are the key properties of N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]piperidine-2-carboxamide;hydrochloride?
N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 351.83 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119305342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).