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

C22H35N5O3 — CID 42213840

IUPACethyl 4-[4-[5-(cyclopentanecarbonylamino)pyrazol-1-yl]piperidin-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC(n3nccc3NC(=O)C3CCCC3)CC2)CC1
InChIInChI=1S/C22H35N5O3/c1-2-30-22(29)26-15-8-18(9-16-26)25-13-10-19(11-14-25)27-20(7-12-23-27)24-21(28)17-5-3-4-6-17/h7,12,17-19H,2-6,8-11,13-16H2,1H3,(H,24,28)
InChIKeyCQRZLWYFJGROFD-UHFFFAOYSA-N
MW417.55 g/mol
LogP3.27
Rot. Bonds5

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

ethyl 4-[4-[5-(cyclopentanecarbonylamino)pyrazol-1-yl]piperidin-1-yl]piperidine-1-carboxylate (PubChem CID 42213840) has the molecular formula C22H35N5O3 and a molecular weight of 417.55 g/mol. Its IUPAC name is ethyl 4-[4-[5-(cyclopentanecarbonylamino)pyrazol-1-yl]piperidin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-[5-(cyclopentanecarbonylamino)pyrazol-1-yl]piperidin-1-yl]piperidine-1-carboxylate
PubChem CID42213840
Molecular FormulaC22H35N5O3
Molecular Weight417.55 g/mol
Exact Mass417.27
IUPAC Nameethyl 4-[4-[5-(cyclopentanecarbonylamino)pyrazol-1-yl]piperidin-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC(n3nccc3NC(=O)C3CCCC3)CC2)CC1
InChIInChI=1S/C22H35N5O3/c1-2-30-22(29)26-15-8-18(9-16-26)25-13-10-19(11-14-25)27-20(7-12-23-27)24-21(28)17-5-3-4-6-17/h7,12,17-19H,2-6,8-11,13-16H2,1H3,(H,24,28)
InChIKeyCQRZLWYFJGROFD-UHFFFAOYSA-N
XLogP3.27
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dimethylpentan-3-yl N-[(3S)-1-[[2-(2-methylpropyl)pyrazol-3-yl]amino]-1,2-dioxoheptan-3-yl]carbamate
CID 11201021
2,4-dimethylpentan-3-yl N-[(3S)-1-[(2-methylpyrazol-3-yl)amino]-1,2-dioxoheptan-3-yl]carbamate
CID 11269005
2,4-dimethylpentan-3-yl N-[(3S)-1-[(2-cyclopentylpyrazol-3-yl)amino]-1,2-dioxoheptan-3-yl]carbamate
CID 11305090
2,4-dimethylpentan-3-yl N-[(3S)-1-[(2-ethylpyrazol-3-yl)amino]-1,2-dioxoheptan-3-yl]carbamate
CID 11326873
2,4-dimethylpentan-3-yl N-[(3S)-1-[(2-cyclohexylpyrazol-3-yl)amino]-1,2-dioxoheptan-3-yl]carbamate
CID 11430812
2,4-dimethylpentan-3-yl N-[(3S)-1,2-dioxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]heptan-3-yl]carbamate
CID 11750163
N-{1-[1-(2,3-dihydroxypropyl)-4-piperidinyl]-1H-pyrazol-5-yl}cyclopentanecarboxamide
CID 24818917
N-{1-[1-(2,6-dimethyl-5-hepten-1-yl)-4-piperidinyl]-1H-pyrazol-5-yl}cyclopentanecarboxamide
CID 24818932
N-{1-[1-(3-hydroxy-2,2-dimethylpropyl)-4-piperidinyl]-1H-pyrazol-5-yl}cyclopentanecarboxamide
CID 24816873
N-(1-{1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)cyclopentanecarboxamide
CID 24819485
N-(1-{1-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)cyclopentanecarboxamide
CID 24790288
N-(1-{1-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)cyclopentanecarboxamide
CID 24794235

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-[5-(cyclopentanecarbonylamino)pyrazol-1-yl]piperidin-1-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[4-[5-(cyclopentanecarbonylamino)pyrazol-1-yl]piperidin-1-yl]piperidine-1-carboxylate (CID 42213840) is ethyl 4-[4-[5-(cyclopentanecarbonylamino)pyrazol-1-yl]piperidin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-[5-(cyclopentanecarbonylamino)pyrazol-1-yl]piperidin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-[5-(cyclopentanecarbonylamino)pyrazol-1-yl]piperidin-1-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(N2CCC(n3nccc3NC(=O)C3CCCC3)CC2)CC1.
What is the InChIKey of ethyl 4-[4-[5-(cyclopentanecarbonylamino)pyrazol-1-yl]piperidin-1-yl]piperidine-1-carboxylate?
The InChIKey is CQRZLWYFJGROFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5O3/c1-2-30-22(29)26-15-8-18(9-16-26)25-13-10-19(11-14-25)27-20(7-12-23-27)24-21(28)17-5-3-4-6-17/h7,12,17-19H,2-6,8-11,13-16H2,1H3,(H,24,28).
What are the key properties of ethyl 4-[4-[5-(cyclopentanecarbonylamino)pyrazol-1-yl]piperidin-1-yl]piperidine-1-carboxylate?
ethyl 4-[4-[5-(cyclopentanecarbonylamino)pyrazol-1-yl]piperidin-1-yl]piperidine-1-carboxylate has a molecular weight of 417.55 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-[5-(cyclopentanecarbonylamino)pyrazol-1-yl]piperidin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 42213840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).