N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

C20H23N5O3 — CID 120934516

IUPACN-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESO=C1CC(Cc2ccc(NC(=O)C3(n4cccn4)CCNCC3)cc2)C(=O)N1
InChIInChI=1S/C20H23N5O3/c26-17-13-15(18(27)24-17)12-14-2-4-16(5-3-14)23-19(28)20(6-9-21-10-7-20)25-11-1-8-22-25/h1-5,8,11,15,21H,6-7,9-10,12-13H2,(H,23,28)(H,24,26,27)
InChIKeyZLUPXHXTYWDHDH-UHFFFAOYSA-N
MW381.44 g/mol
LogP0.81
Rot. Bonds5

About N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120934516) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120934516
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC NameN-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESO=C1CC(Cc2ccc(NC(=O)C3(n4cccn4)CCNCC3)cc2)C(=O)N1
InChIInChI=1S/C20H23N5O3/c26-17-13-15(18(27)24-17)12-14-2-4-16(5-3-14)23-19(28)20(6-9-21-10-7-20)25-11-1-8-22-25/h1-5,8,11,15,21H,6-7,9-10,12-13H2,(H,23,28)(H,24,26,27)
InChIKeyZLUPXHXTYWDHDH-UHFFFAOYSA-N
XLogP0.81
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917507
N-(4-iodophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917303
N-(4-fluorophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917012
N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120929482
N-(3,4-dimethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917006
N-[4-(3-amino-3-oxopropoxy)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120925648
N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120933669
N-[[4-(carbamoylamino)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120920936
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120919261
N-[4-(2,2-difluoroethoxy)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120935836
N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120922191
N-[4-[3-(methylamino)-3-oxopropoxy]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120931422

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120934516) is N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is O=C1CC(Cc2ccc(NC(=O)C3(n4cccn4)CCNCC3)cc2)C(=O)N1.
What is the InChIKey of N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is ZLUPXHXTYWDHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c26-17-13-15(18(27)24-17)12-14-2-4-16(5-3-14)23-19(28)20(6-9-21-10-7-20)25-11-1-8-22-25/h1-5,8,11,15,21H,6-7,9-10,12-13H2,(H,23,28)(H,24,26,27).
What are the key properties of N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120934516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).