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

C21H33N5O4 — CID 45210335

IUPACethyl 4-[4-[5-(oxolane-3-carbonylamino)pyrazol-1-yl]piperidin-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC(n3nccc3NC(=O)C3CCOC3)CC2)CC1
InChIInChI=1S/C21H33N5O4/c1-2-30-21(28)25-12-4-17(5-13-25)24-10-6-18(7-11-24)26-19(3-9-22-26)23-20(27)16-8-14-29-15-16/h3,9,16-18H,2,4-8,10-15H2,1H3,(H,23,27)
InChIKeyRQHFHXQRCOALQO-UHFFFAOYSA-N
MW419.53 g/mol
LogP2.12
Rot. Bonds5

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

ethyl 4-[4-[5-(oxolane-3-carbonylamino)pyrazol-1-yl]piperidin-1-yl]piperidine-1-carboxylate (PubChem CID 45210335) has the molecular formula C21H33N5O4 and a molecular weight of 419.53 g/mol. Its IUPAC name is ethyl 4-[4-[5-(oxolane-3-carbonylamino)pyrazol-1-yl]piperidin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-[5-(oxolane-3-carbonylamino)pyrazol-1-yl]piperidin-1-yl]piperidine-1-carboxylate
PubChem CID45210335
Molecular FormulaC21H33N5O4
Molecular Weight419.53 g/mol
Exact Mass419.25
IUPAC Nameethyl 4-[4-[5-(oxolane-3-carbonylamino)pyrazol-1-yl]piperidin-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC(n3nccc3NC(=O)C3CCOC3)CC2)CC1
InChIInChI=1S/C21H33N5O4/c1-2-30-21(28)25-12-4-17(5-13-25)24-10-6-18(7-11-24)26-19(3-9-22-26)23-20(27)16-8-14-29-15-16/h3,9,16-18H,2,4-8,10-15H2,1H3,(H,23,27)
InChIKeyRQHFHXQRCOALQO-UHFFFAOYSA-N
XLogP2.12
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[4-[5-(oxolane-3-carbonylamino)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-methylbutyl)-4-piperidinyl]-1H-pyrazol-5-yl}tetrahydro-3-furancarboxamide
CID 24790483
N-{1-[1-(3-hydroxy-2,2-dimethylpropyl)-4-piperidinyl]-1H-pyrazol-5-yl}tetrahydro-3-furancarboxamide
CID 45240879
ethyl 4-{5-[(cyclopentylcarbonyl)amino]-1H-pyrazol-1-yl}-1,4'-bipiperidine-1'-carboxylate
CID 42213840
2,2-dimethyl-N-{1-[1-(tetrahydro-2H-pyran-4-yl)-4-piperidinyl]-1H-pyrazol-5-yl}propanamide
CID 42243597
3-methyl-N-{1-[1-(1-piperidinylacetyl)-4-piperidinyl]-1H-pyrazol-5-yl}butanamide
CID 42357769
ethyl 4-{5-[(3-methylbutanoyl)amino]-1H-pyrazol-1-yl}-1,4'-bipiperidine-1'-carboxylate
CID 42402570
2,2-dimethyl-N-(1-{1-[3-(1,2-oxazinan-2-yl)propanoyl]-4-piperidinyl}-1H-pyrazol-5-yl)propanamide
CID 42454249
Methyl 4-[4-[5-(2,2-dimethylpropanoylamino)pyrazol-1-yl]piperidin-1-yl]pentanoate
CID 45186291
N-(1-{1-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)tetrahydro-3-furancarboxamide
CID 45193714
3-methyl-N-{1-[1-(tetrahydro-3-furanylmethyl)-4-piperidinyl]-1H-pyrazol-5-yl}butanamide
CID 45221190
N-{1-[1-(2,2-dimethylpropyl)-4-piperidinyl]-1H-pyrazol-5-yl}tetrahydro-3-furancarboxamide
CID 45228305
N-{1-[1-(cyclohexylcarbonyl)-4-piperidinyl]-1H-pyrazol-5-yl}tetrahydro-3-furancarboxamide
CID 45236958

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-[5-(oxolane-3-carbonylamino)pyrazol-1-yl]piperidin-1-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[4-[5-(oxolane-3-carbonylamino)pyrazol-1-yl]piperidin-1-yl]piperidine-1-carboxylate (CID 45210335) is ethyl 4-[4-[5-(oxolane-3-carbonylamino)pyrazol-1-yl]piperidin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-[5-(oxolane-3-carbonylamino)pyrazol-1-yl]piperidin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-[5-(oxolane-3-carbonylamino)pyrazol-1-yl]piperidin-1-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(N2CCC(n3nccc3NC(=O)C3CCOC3)CC2)CC1.
What is the InChIKey of ethyl 4-[4-[5-(oxolane-3-carbonylamino)pyrazol-1-yl]piperidin-1-yl]piperidine-1-carboxylate?
The InChIKey is RQHFHXQRCOALQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O4/c1-2-30-21(28)25-12-4-17(5-13-25)24-10-6-18(7-11-24)26-19(3-9-22-26)23-20(27)16-8-14-29-15-16/h3,9,16-18H,2,4-8,10-15H2,1H3,(H,23,27).
What are the key properties of ethyl 4-[4-[5-(oxolane-3-carbonylamino)pyrazol-1-yl]piperidin-1-yl]piperidine-1-carboxylate?
ethyl 4-[4-[5-(oxolane-3-carbonylamino)pyrazol-1-yl]piperidin-1-yl]piperidine-1-carboxylate has a molecular weight of 419.53 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-[5-(oxolane-3-carbonylamino)pyrazol-1-yl]piperidin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 45210335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).