1'-(3-cyclopentylpropanoyl)-1-methyl-N-propan-2-ylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide

C23H36N4O3 — CID 146067908

IUPAC1'-(3-cyclopentylpropanoyl)-1-methyl-N-propan-2-ylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
SMILESCC(C)NC(=O)c1nn(C)c2c1COC1(CCN(C(=O)CCC3CCCC3)CC1)C2
InChIInChI=1S/C23H36N4O3/c1-16(2)24-22(29)21-18-15-30-23(14-19(18)26(3)25-21)10-12-27(13-11-23)20(28)9-8-17-6-4-5-7-17/h16-17H,4-15H2,1-3H3,(H,24,29)
InChIKeyVREUBYLUXLLXFX-UHFFFAOYSA-N
MW416.57 g/mol
LogP2.96
Rot. Bonds5

About 1'-(3-cyclopentylpropanoyl)-1-methyl-N-propan-2-ylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide

1'-(3-cyclopentylpropanoyl)-1-methyl-N-propan-2-ylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide (PubChem CID 146067908) has the molecular formula C23H36N4O3 and a molecular weight of 416.57 g/mol. Its IUPAC name is 1'-(3-cyclopentylpropanoyl)-1-methyl-N-propan-2-ylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide.

Molecular Properties

Compound Name1'-(3-cyclopentylpropanoyl)-1-methyl-N-propan-2-ylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
PubChem CID146067908
Molecular FormulaC23H36N4O3
Molecular Weight416.57 g/mol
Exact Mass416.28
IUPAC Name1'-(3-cyclopentylpropanoyl)-1-methyl-N-propan-2-ylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
SMILESCC(C)NC(=O)c1nn(C)c2c1COC1(CCN(C(=O)CCC3CCCC3)CC1)C2
InChIInChI=1S/C23H36N4O3/c1-16(2)24-22(29)21-18-15-30-23(14-19(18)26(3)25-21)10-12-27(13-11-23)20(28)9-8-17-6-4-5-7-17/h16-17H,4-15H2,1-3H3,(H,24,29)
InChIKeyVREUBYLUXLLXFX-UHFFFAOYSA-N
XLogP2.96
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-1-methyl-1'-(3-methylbutanoyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 146069600
N-(cyclopropylmethyl)-1'-(3-imidazol-1-ylpropanoyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 146069585
1-[1-methyl-3-(pyrrolidine-1-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-1'-yl]-3-morpholin-4-ylpropan-1-one
CID 146068242
N-(cyclopropylmethyl)-1-methyl-1'-(1-methylpyrrole-2-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 146069573
N-cyclopropyl-1'-[2-(4-fluorophenoxy)acetyl]-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 146069523
N-(cyclopropylmethyl)-1'-(2,4-difluorobenzoyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 146067914
N-(cyclopropylmethyl)-1'-(furan-3-ylmethyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 146069582
N-cyclopropyl-1-methyl-1'-(4-methyl-1,3-oxazole-5-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 146069530
(5-methylpyrazin-2-yl)-[1-methyl-3-(pyrrolidine-1-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-1'-yl]methanone
CID 146068230
[1-methyl-3-(pyrrolidine-1-carbonyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-1'-yl]-(1H-pyrazol-5-yl)methanone
CID 146068229
1'-(3-methoxybenzoyl)-1-methyl-N-propylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 146068271
3-cyclohexyl-1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one
CID 90510415

Frequently Asked Questions

What is the IUPAC name of 1'-(3-cyclopentylpropanoyl)-1-methyl-N-propan-2-ylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide?
The IUPAC name of 1'-(3-cyclopentylpropanoyl)-1-methyl-N-propan-2-ylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide (CID 146067908) is 1'-(3-cyclopentylpropanoyl)-1-methyl-N-propan-2-ylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide.
What is the SMILES notation for 1'-(3-cyclopentylpropanoyl)-1-methyl-N-propan-2-ylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide?
The canonical SMILES for 1'-(3-cyclopentylpropanoyl)-1-methyl-N-propan-2-ylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide is CC(C)NC(=O)c1nn(C)c2c1COC1(CCN(C(=O)CCC3CCCC3)CC1)C2.
What is the InChIKey of 1'-(3-cyclopentylpropanoyl)-1-methyl-N-propan-2-ylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide?
The InChIKey is VREUBYLUXLLXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O3/c1-16(2)24-22(29)21-18-15-30-23(14-19(18)26(3)25-21)10-12-27(13-11-23)20(28)9-8-17-6-4-5-7-17/h16-17H,4-15H2,1-3H3,(H,24,29).
What are the key properties of 1'-(3-cyclopentylpropanoyl)-1-methyl-N-propan-2-ylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide?
1'-(3-cyclopentylpropanoyl)-1-methyl-N-propan-2-ylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide has a molecular weight of 416.57 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3-cyclopentylpropanoyl)-1-methyl-N-propan-2-ylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide is sourced from PubChem (CID 146067908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).