N'-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]oxamide

C21H34N6O3 — CID 96542802

IUPACN'-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]oxamide
SMILESC[C@H](CNC(=O)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1)CN1CCCCC1
InChIInChI=1S/C21H34N6O3/c1-16(13-26-9-5-2-6-10-26)11-22-20(29)21(30)25-18-12-23-27(14-18)15-19(28)24-17-7-3-4-8-17/h12,14,16-17H,2-11,13,15H2,1H3,(H,22,29)(H,24,28)(H,25,30)/t16-/m1/s1
InChIKeyZAIFUISYQOCVEV-MRXNPFEDSA-N
MW418.54 g/mol
LogP1.12
Rot. Bonds8

About N'-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]oxamide

N'-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]oxamide (PubChem CID 96542802) has the molecular formula C21H34N6O3 and a molecular weight of 418.54 g/mol. Its IUPAC name is N'-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]oxamide.

Molecular Properties

Compound NameN'-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]oxamide
PubChem CID96542802
Molecular FormulaC21H34N6O3
Molecular Weight418.54 g/mol
Exact Mass418.27
IUPAC NameN'-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]oxamide
SMILESC[C@H](CNC(=O)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1)CN1CCCCC1
InChIInChI=1S/C21H34N6O3/c1-16(13-26-9-5-2-6-10-26)11-22-20(29)21(30)25-18-12-23-27(14-18)15-19(28)24-17-7-3-4-8-17/h12,14,16-17H,2-11,13,15H2,1H3,(H,22,29)(H,24,28)(H,25,30)/t16-/m1/s1
InChIKeyZAIFUISYQOCVEV-MRXNPFEDSA-N
XLogP1.12
TPSA108.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-ethylbutanamide
CID 49054716
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CID 60931819
N'-(4-methylphenyl)-N-(2-methyl-3-piperidin-1-ylpropyl)oxamide
CID 60530240
N'-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-N-[4-(pyridin-2-ylamino)butyl]oxamide
CID 71849045
2-bromo-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-3-methylbutanamide
CID 60933891
9-amino-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988026
1-[2-(cyclooctylamino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19622340
4-butoxy-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 49055601
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]pyrrolidine-2-carboxamide
CID 119309124
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-4-methoxybenzamide
CID 49055659
4-chloro-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]butanamide
CID 63307715
N-[1-[[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N'-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]oxamide?
The IUPAC name of N'-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]oxamide (CID 96542802) is N'-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]oxamide.
What is the SMILES notation for N'-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]oxamide?
The canonical SMILES for N'-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]oxamide is C[C@H](CNC(=O)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1)CN1CCCCC1.
What is the InChIKey of N'-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]oxamide?
The InChIKey is ZAIFUISYQOCVEV-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H34N6O3/c1-16(13-26-9-5-2-6-10-26)11-22-20(29)21(30)25-18-12-23-27(14-18)15-19(28)24-17-7-3-4-8-17/h12,14,16-17H,2-11,13,15H2,1H3,(H,22,29)(H,24,28)(H,25,30)/t16-/m1/s1.
What are the key properties of N'-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]oxamide?
N'-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]oxamide has a molecular weight of 418.54 g/mol, XLogP of 1.12, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]oxamide is sourced from PubChem (CID 96542802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).