N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxopiperidine-4-carboxamide

C18H25N3O2 — CID 110682183

IUPACN-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxopiperidine-4-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)C3CCNC(=O)C3)cc2)CC1
InChIInChI=1S/C18H25N3O2/c1-13-7-10-21(11-8-13)16-4-2-15(3-5-16)20-18(23)14-6-9-19-17(22)12-14/h2-5,13-14H,6-12H2,1H3,(H,19,22)(H,20,23)
InChIKeyVGRVKCCSAUVMCY-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.39
Rot. Bonds3

About N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxopiperidine-4-carboxamide

N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxopiperidine-4-carboxamide (PubChem CID 110682183) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxopiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxopiperidine-4-carboxamide
PubChem CID110682183
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxopiperidine-4-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)C3CCNC(=O)C3)cc2)CC1
InChIInChI=1S/C18H25N3O2/c1-13-7-10-21(11-8-13)16-4-2-15(3-5-16)20-18(23)14-6-9-19-17(22)12-14/h2-5,13-14H,6-12H2,1H3,(H,19,22)(H,20,23)
InChIKeyVGRVKCCSAUVMCY-UHFFFAOYSA-N
XLogP2.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxomorpholine-3-carboxamide
CID 110696844
1-(4-methylphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 44828263
N-(3-chloro-4-methylphenyl)-2-oxopiperidine-4-carboxamide
CID 110682147
N-[4-(4-methylpiperidin-1-yl)phenyl]oxane-3-carboxamide
CID 110862273
N-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-1-carboxamide
CID 108987878
N-[4-(4-methylpiperidin-1-yl)phenyl]piperidine-1-carboxamide
CID 108987931
N-(4-methylphenyl)-N'-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108986754
1-[4-(cyclopropanecarbonylamino)phenyl]-N-ethylpiperidine-4-carboxamide
CID 110668128
2-(3,5-dioxopyrazolidin-4-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 110703367
N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 41491961
N-[[2-fluoro-4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 170180091
1-(4-methylphenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 56559166

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxopiperidine-4-carboxamide?
The IUPAC name of N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxopiperidine-4-carboxamide (CID 110682183) is N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxopiperidine-4-carboxamide.
What is the SMILES notation for N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxopiperidine-4-carboxamide?
The canonical SMILES for N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxopiperidine-4-carboxamide is CC1CCN(c2ccc(NC(=O)C3CCNC(=O)C3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxopiperidine-4-carboxamide?
The InChIKey is VGRVKCCSAUVMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13-7-10-21(11-8-13)16-4-2-15(3-5-16)20-18(23)14-6-9-19-17(22)12-14/h2-5,13-14H,6-12H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxopiperidine-4-carboxamide?
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxopiperidine-4-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxopiperidine-4-carboxamide is sourced from PubChem (CID 110682183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).