N-[2-[1-(1-aminocyclopropanecarbonyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide

C20H23N5O4 — CID 56738776

IUPACN-[2-[1-(1-aminocyclopropanecarbonyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
SMILESNC1(C(=O)N2CCC(n3nccc3NC(=O)c3ccc4c(c3)OCO4)CC2)CC1
InChIInChI=1S/C20H23N5O4/c21-20(6-7-20)19(27)24-9-4-14(5-10-24)25-17(3-8-22-25)23-18(26)13-1-2-15-16(11-13)29-12-28-15/h1-3,8,11,14H,4-7,9-10,12,21H2,(H,23,26)
InChIKeyWPBRHWRGSVLFFO-UHFFFAOYSA-N
MW397.44 g/mol
LogP1.52
Rot. Bonds4

About N-[2-[1-(1-aminocyclopropanecarbonyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide

N-[2-[1-(1-aminocyclopropanecarbonyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide (PubChem CID 56738776) has the molecular formula C20H23N5O4 and a molecular weight of 397.44 g/mol. Its IUPAC name is N-[2-[1-(1-aminocyclopropanecarbonyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(1-aminocyclopropanecarbonyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
PubChem CID56738776
Molecular FormulaC20H23N5O4
Molecular Weight397.44 g/mol
Exact Mass397.18
IUPAC NameN-[2-[1-(1-aminocyclopropanecarbonyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
SMILESNC1(C(=O)N2CCC(n3nccc3NC(=O)c3ccc4c(c3)OCO4)CC2)CC1
InChIInChI=1S/C20H23N5O4/c21-20(6-7-20)19(27)24-9-4-14(5-10-24)25-17(3-8-22-25)23-18(26)13-1-2-15-16(11-13)29-12-28-15/h1-3,8,11,14H,4-7,9-10,12,21H2,(H,23,26)
InChIKeyWPBRHWRGSVLFFO-UHFFFAOYSA-N
XLogP1.52
TPSA111.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 42392495
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CID 45190290
N-[2-[1-(2-oxo-2-phenylacetyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
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CID 56740279
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CID 25292419
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CID 29028621
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CID 25461156
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CID 42401439
N-[2-[1-[(3-acetylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 24790682
N-[2-[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(1-aminocyclopropanecarbonyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-[1-(1-aminocyclopropanecarbonyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide (CID 56738776) is N-[2-[1-(1-aminocyclopropanecarbonyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-[1-(1-aminocyclopropanecarbonyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-[1-(1-aminocyclopropanecarbonyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide is NC1(C(=O)N2CCC(n3nccc3NC(=O)c3ccc4c(c3)OCO4)CC2)CC1.
What is the InChIKey of N-[2-[1-(1-aminocyclopropanecarbonyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is WPBRHWRGSVLFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O4/c21-20(6-7-20)19(27)24-9-4-14(5-10-24)25-17(3-8-22-25)23-18(26)13-1-2-15-16(11-13)29-12-28-15/h1-3,8,11,14H,4-7,9-10,12,21H2,(H,23,26).
What are the key properties of N-[2-[1-(1-aminocyclopropanecarbonyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide?
N-[2-[1-(1-aminocyclopropanecarbonyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 397.44 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(1-aminocyclopropanecarbonyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 56738776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).