N-cyclopentyl-1-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3-dioxoisoindol-4-yl]piperidine-4-carboxamide

C25H31N5O3 — CID 42433445

IUPACN-cyclopentyl-1-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3-dioxoisoindol-4-yl]piperidine-4-carboxamide
SMILESCc1nn(C)cc1CN1C(=O)c2cccc(N3CCC(C(=O)NC4CCCC4)CC3)c2C1=O
InChIInChI=1S/C25H31N5O3/c1-16-18(14-28(2)27-16)15-30-24(32)20-8-5-9-21(22(20)25(30)33)29-12-10-17(11-13-29)23(31)26-19-6-3-4-7-19/h5,8-9,14,17,19H,3-4,6-7,10-13,15H2,1-2H3,(H,26,31)
InChIKeyZXPPWRJUIOMAJM-UHFFFAOYSA-N
MW449.56 g/mol
LogP2.80
Rot. Bonds5

About N-cyclopentyl-1-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3-dioxoisoindol-4-yl]piperidine-4-carboxamide

N-cyclopentyl-1-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3-dioxoisoindol-4-yl]piperidine-4-carboxamide (PubChem CID 42433445) has the molecular formula C25H31N5O3 and a molecular weight of 449.56 g/mol. Its IUPAC name is N-cyclopentyl-1-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3-dioxoisoindol-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3-dioxoisoindol-4-yl]piperidine-4-carboxamide
PubChem CID42433445
Molecular FormulaC25H31N5O3
Molecular Weight449.56 g/mol
Exact Mass449.24
IUPAC NameN-cyclopentyl-1-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3-dioxoisoindol-4-yl]piperidine-4-carboxamide
SMILESCc1nn(C)cc1CN1C(=O)c2cccc(N3CCC(C(=O)NC4CCCC4)CC3)c2C1=O
InChIInChI=1S/C25H31N5O3/c1-16-18(14-28(2)27-16)15-30-24(32)20-8-5-9-21(22(20)25(30)33)29-12-10-17(11-13-29)23(31)26-19-6-3-4-7-19/h5,8-9,14,17,19H,3-4,6-7,10-13,15H2,1-2H3,(H,26,31)
InChIKeyZXPPWRJUIOMAJM-UHFFFAOYSA-N
XLogP2.80
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-1-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3-dioxoisoindol-4-yl]-N-methylpiperidine-4-carboxamide
CID 26402895
2-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[4-[5-(4-methoxyphenyl)furan-2-carbonyl]piperazin-1-yl]isoindole-1,3-dione
CID 45224342
1-[2-[(1,5-dimethylpyrazol-4-yl)methyl]-1,3-dioxoisoindol-4-yl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 42213718
1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1,3-dioxoisoindol-4-yl]-N-[[(1S,2S,4S)-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl]piperidine-4-carboxamide
CID 42433227
(2S)-N-cyclopentyl-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholine-2-carboxamide
CID 92633348
1-[2-[(3-fluorophenyl)methyl]-1,3-dioxoisoindol-4-yl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 56859366
(3S)-N-cyclopentyl-1-(1,3-dimethylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide
CID 92633358
1-[2-(1,3-benzodioxol-5-ylmethyl)-1,3-dioxoisoindol-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 45215778
1-[2-(cyclohexylmethyl)-1,3-dioxoisoindol-4-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 118755188
4-(4-acetylpiperazin-1-yl)-2-[(1,5-dimethylpyrazol-4-yl)methyl]isoindole-1,3-dione
CID 126464278
2-[(4-methoxyphenyl)methyl]-4-[4-(piperidine-1-carbonyl)piperidin-1-yl]isoindole-1,3-dione
CID 42167610
2-[(2-chlorophenyl)methyl]-4-(4-cyclopentylpiperazin-1-yl)isoindole-1,3-dione
CID 42484756

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3-dioxoisoindol-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-cyclopentyl-1-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3-dioxoisoindol-4-yl]piperidine-4-carboxamide (CID 42433445) is N-cyclopentyl-1-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3-dioxoisoindol-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3-dioxoisoindol-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclopentyl-1-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3-dioxoisoindol-4-yl]piperidine-4-carboxamide is Cc1nn(C)cc1CN1C(=O)c2cccc(N3CCC(C(=O)NC4CCCC4)CC3)c2C1=O.
What is the InChIKey of N-cyclopentyl-1-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3-dioxoisoindol-4-yl]piperidine-4-carboxamide?
The InChIKey is ZXPPWRJUIOMAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3/c1-16-18(14-28(2)27-16)15-30-24(32)20-8-5-9-21(22(20)25(30)33)29-12-10-17(11-13-29)23(31)26-19-6-3-4-7-19/h5,8-9,14,17,19H,3-4,6-7,10-13,15H2,1-2H3,(H,26,31).
What are the key properties of N-cyclopentyl-1-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3-dioxoisoindol-4-yl]piperidine-4-carboxamide?
N-cyclopentyl-1-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3-dioxoisoindol-4-yl]piperidine-4-carboxamide has a molecular weight of 449.56 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[2-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3-dioxoisoindol-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 42433445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).