ethyl 4-[4-[5-(3-methylbutanoylamino)pyrazol-1-yl]piperidin-1-yl]piperidine-1-carboxylate

C21H35N5O3 — CID 42402570

IUPACethyl 4-[4-[5-(3-methylbutanoylamino)pyrazol-1-yl]piperidin-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC(n3nccc3NC(=O)CC(C)C)CC2)CC1
InChIInChI=1S/C21H35N5O3/c1-4-29-21(28)25-13-6-17(7-14-25)24-11-8-18(9-12-24)26-19(5-10-22-26)23-20(27)15-16(2)3/h5,10,16-18H,4,6-9,11-15H2,1-3H3,(H,23,27)
InChIKeyHHWRYPAVLOKDTH-UHFFFAOYSA-N
MW405.54 g/mol
LogP3.13
Rot. Bonds6

About ethyl 4-[4-[5-(3-methylbutanoylamino)pyrazol-1-yl]piperidin-1-yl]piperidine-1-carboxylate

ethyl 4-[4-[5-(3-methylbutanoylamino)pyrazol-1-yl]piperidin-1-yl]piperidine-1-carboxylate (PubChem CID 42402570) has the molecular formula C21H35N5O3 and a molecular weight of 405.54 g/mol. Its IUPAC name is ethyl 4-[4-[5-(3-methylbutanoylamino)pyrazol-1-yl]piperidin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-[5-(3-methylbutanoylamino)pyrazol-1-yl]piperidin-1-yl]piperidine-1-carboxylate
PubChem CID42402570
Molecular FormulaC21H35N5O3
Molecular Weight405.54 g/mol
Exact Mass405.27
IUPAC Nameethyl 4-[4-[5-(3-methylbutanoylamino)pyrazol-1-yl]piperidin-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC(n3nccc3NC(=O)CC(C)C)CC2)CC1
InChIInChI=1S/C21H35N5O3/c1-4-29-21(28)25-13-6-17(7-14-25)24-11-8-18(9-12-24)26-19(5-10-22-26)23-20(27)15-16(2)3/h5,10,16-18H,4,6-9,11-15H2,1-3H3,(H,23,27)
InChIKeyHHWRYPAVLOKDTH-UHFFFAOYSA-N
XLogP3.13
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[4-[5-(3-methylbutanoylamino)pyrazol-1-yl]piperidin-1-yl]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-{1-[1-(3-hydroxy-2,2-dimethylpropyl)-4-piperidinyl]-1H-pyrazol-5-yl}cyclopentanecarboxamide
CID 24816873
N-{1-[1-(3-methylbutyl)-4-piperidinyl]-1H-pyrazol-5-yl}tetrahydro-3-furancarboxamide
CID 24790483
tert-butyl N-[2-[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]-2-oxoethyl]-N-methylcarbamate
CID 56783438
2-(3,5-dimethylpiperidin-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 16294137
ethyl 4-{5-[(cyclopentylcarbonyl)amino]-1H-pyrazol-1-yl}-1,4'-bipiperidine-1'-carboxylate
CID 42213840
3-methyl-N-{1-[1-(3,3,3-trifluoro-1-methylpropyl)-4-piperidinyl]-1H-pyrazol-5-yl}butanamide
CID 45930241
(3S)-N-(2-cyclopentylpyrazol-3-yl)-1-(2-methoxyethyl)pyrrolidine-3-carboxamide
CID 164629745
2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[2-[(2S)-4-methylpentan-2-yl]pyrazol-3-yl]acetamide
CID 164639032
2,2-dimethyl-N-{1-[1-(4,4,4-trifluorobutanoyl)-4-piperidinyl]-1H-pyrazol-5-yl}propanamide
CID 26395668
3-methyl-N-{1-[1-(3,3,3-trifluoropropanoyl)-4-piperidinyl]-1H-pyrazol-5-yl}butanamide
CID 42378652
1-(2,2-difluoroethyl)-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]piperidine-4-carboxamide
CID 154757986
3-methyl-N-(1-{1-[3-(methylthio)propanoyl]-4-piperidinyl}-1H-pyrazol-5-yl)butanamide
CID 25373971

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-[5-(3-methylbutanoylamino)pyrazol-1-yl]piperidin-1-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[4-[5-(3-methylbutanoylamino)pyrazol-1-yl]piperidin-1-yl]piperidine-1-carboxylate (CID 42402570) is ethyl 4-[4-[5-(3-methylbutanoylamino)pyrazol-1-yl]piperidin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-[5-(3-methylbutanoylamino)pyrazol-1-yl]piperidin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-[5-(3-methylbutanoylamino)pyrazol-1-yl]piperidin-1-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(N2CCC(n3nccc3NC(=O)CC(C)C)CC2)CC1.
What is the InChIKey of ethyl 4-[4-[5-(3-methylbutanoylamino)pyrazol-1-yl]piperidin-1-yl]piperidine-1-carboxylate?
The InChIKey is HHWRYPAVLOKDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O3/c1-4-29-21(28)25-13-6-17(7-14-25)24-11-8-18(9-12-24)26-19(5-10-22-26)23-20(27)15-16(2)3/h5,10,16-18H,4,6-9,11-15H2,1-3H3,(H,23,27).
What are the key properties of ethyl 4-[4-[5-(3-methylbutanoylamino)pyrazol-1-yl]piperidin-1-yl]piperidine-1-carboxylate?
ethyl 4-[4-[5-(3-methylbutanoylamino)pyrazol-1-yl]piperidin-1-yl]piperidine-1-carboxylate has a molecular weight of 405.54 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-[5-(3-methylbutanoylamino)pyrazol-1-yl]piperidin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 42402570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).