N-[2-[1-[(2S)-spiro[2.5]octane-2-carbonyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

C21H30N4O2 — CID 42245735

IUPACN-[2-[1-[(2S)-spiro[2.5]octane-2-carbonyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ccnn1C1CCN(C(=O)[C@H]2CC23CCCCC3)CC1)C1CC1
InChIInChI=1S/C21H30N4O2/c26-19(15-4-5-15)23-18-6-11-22-25(18)16-7-12-24(13-8-16)20(27)17-14-21(17)9-2-1-3-10-21/h6,11,15-17H,1-5,7-10,12-14H2,(H,23,26)/t17-/m1/s1
InChIKeyZGQSDVAINTYUJB-QGZVFWFLSA-N
MW370.50 g/mol
LogP3.37
Rot. Bonds4

About N-[2-[1-[(2S)-spiro[2.5]octane-2-carbonyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

N-[2-[1-[(2S)-spiro[2.5]octane-2-carbonyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (PubChem CID 42245735) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-[2-[1-[(2S)-spiro[2.5]octane-2-carbonyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-[(2S)-spiro[2.5]octane-2-carbonyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
PubChem CID42245735
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC NameN-[2-[1-[(2S)-spiro[2.5]octane-2-carbonyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ccnn1C1CCN(C(=O)[C@H]2CC23CCCCC3)CC1)C1CC1
InChIInChI=1S/C21H30N4O2/c26-19(15-4-5-15)23-18-6-11-22-25(18)16-7-12-24(13-8-16)20(27)17-14-21(17)9-2-1-3-10-21/h6,11,15-17H,1-5,7-10,12-14H2,(H,23,26)/t17-/m1/s1
InChIKeyZGQSDVAINTYUJB-QGZVFWFLSA-N
XLogP3.37
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-(spiro[2.5]octane-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 45190290
N-[2-[1-(cyclobutylmethyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 56746743
N-[2-[1-(4-chlorobenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 24819283
N-(2-cyclohexylpyrazol-3-yl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 134048496
N-[2-[1-(2,3-dihydroxypropyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
CID 24818917
N-[2-[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 56739146
N-(2-cyclopentylpyrazol-3-yl)-1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide
CID 134700952
N-[2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 24793292
N-[2-[1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 29185071
(2S)-1-(cyclopropanecarbonyl)-N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]pyrrolidine-2-carboxamide
CID 134696692
N-[2-[1-(3-hydroxy-2,2-dimethylpropyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
CID 24816873
N-[2-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
CID 24819134

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(2S)-spiro[2.5]octane-2-carbonyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[1-[(2S)-spiro[2.5]octane-2-carbonyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (CID 42245735) is N-[2-[1-[(2S)-spiro[2.5]octane-2-carbonyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[1-[(2S)-spiro[2.5]octane-2-carbonyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[1-[(2S)-spiro[2.5]octane-2-carbonyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is O=C(Nc1ccnn1C1CCN(C(=O)[C@H]2CC23CCCCC3)CC1)C1CC1.
What is the InChIKey of N-[2-[1-[(2S)-spiro[2.5]octane-2-carbonyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The InChIKey is ZGQSDVAINTYUJB-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H30N4O2/c26-19(15-4-5-15)23-18-6-11-22-25(18)16-7-12-24(13-8-16)20(27)17-14-21(17)9-2-1-3-10-21/h6,11,15-17H,1-5,7-10,12-14H2,(H,23,26)/t17-/m1/s1.
What are the key properties of N-[2-[1-[(2S)-spiro[2.5]octane-2-carbonyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
N-[2-[1-[(2S)-spiro[2.5]octane-2-carbonyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide has a molecular weight of 370.50 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(2S)-spiro[2.5]octane-2-carbonyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 42245735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).