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

C21H30N4O2 — CID 45238635

IUPACN-[2-[1-(spiro[2.5]octane-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ccnn1C1CCN(C(=O)C2CC23CCCCC3)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)
InChIKeyZGQSDVAINTYUJB-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.37
Rot. Bonds4

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

N-[2-[1-(spiro[2.5]octane-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (PubChem CID 45238635) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-[2-[1-(spiro[2.5]octane-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-(spiro[2.5]octane-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
PubChem CID45238635
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC NameN-[2-[1-(spiro[2.5]octane-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ccnn1C1CCN(C(=O)C2CC23CCCCC3)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)
InChIKeyZGQSDVAINTYUJB-UHFFFAOYSA-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-(1-cyclohexyl-1H-pyrazol-5-yl)-2-cyclopropylacetamide
CID 29022543
N-[1-[4-(dimethylamino)-4-oxobutyl]pyrazol-3-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 71925440
(2S)-2-(4,4-difluorocyclohexyl)-N'-(2-ethylpyrazol-3-yl)propanediamide
CID 178621626
3,3-difluoro-N-[1-(2-methylpyrazol-3-yl)piperidin-3-yl]cyclohexane-1-carboxamide
CID 121542998
(1R)-3,3-difluoro-N-[(3S)-1-(2-methylpyrazol-3-yl)piperidin-3-yl]cyclohexane-1-carboxamide
CID 124255558
(1S)-3,3-difluoro-N-[(3S)-1-(2-methylpyrazol-3-yl)piperidin-3-yl]cyclohexane-1-carboxamide
CID 124255559
(1R)-3,3-difluoro-N-[(3R)-1-(2-methylpyrazol-3-yl)piperidin-3-yl]cyclohexane-1-carboxamide
CID 124292410
(1S)-3,3-difluoro-N-[(3R)-1-(2-methylpyrazol-3-yl)piperidin-3-yl]cyclohexane-1-carboxamide
CID 124292411
N-(1-methyl-1H-pyrazol-5-yl)cyclohexanecarboxamide
CID 2808900
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 16282632
N-{1-[1-(1-cyclohexen-1-ylacetyl)-4-piperidinyl]-1H-pyrazol-5-yl}-2,2-dimethylpropanamide
CID 25365653
N-[1-(1-{[(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}-4-piperidinyl)-1H-pyrazol-5-yl]cyclopropanecarboxamide
CID 25370656

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(spiro[2.5]octane-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[1-(spiro[2.5]octane-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (CID 45238635) is N-[2-[1-(spiro[2.5]octane-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[1-(spiro[2.5]octane-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[1-(spiro[2.5]octane-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is O=C(Nc1ccnn1C1CCN(C(=O)C2CC23CCCCC3)CC1)C1CC1.
What is the InChIKey of N-[2-[1-(spiro[2.5]octane-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The InChIKey is ZGQSDVAINTYUJB-UHFFFAOYSA-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).
What are the key properties of N-[2-[1-(spiro[2.5]octane-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
N-[2-[1-(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-(spiro[2.5]octane-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 45238635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).