N-(cyclopropylmethyl)-1-methyl-1'-(3-methylbutanoyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide

C21H32N4O3 — CID 146069600

IUPACN-(cyclopropylmethyl)-1-methyl-1'-(3-methylbutanoyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
SMILESCC(C)CC(=O)N1CCC2(CC1)Cc1c(c(C(=O)NCC3CC3)nn1C)CO2
InChIInChI=1S/C21H32N4O3/c1-14(2)10-18(26)25-8-6-21(7-9-25)11-17-16(13-28-21)19(23-24(17)3)20(27)22-12-15-4-5-15/h14-15H,4-13H2,1-3H3,(H,22,27)
InChIKeyYQXZUPCTQBZRTH-UHFFFAOYSA-N
MW388.51 g/mol
LogP2.04
Rot. Bonds5

About N-(cyclopropylmethyl)-1-methyl-1'-(3-methylbutanoyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide

N-(cyclopropylmethyl)-1-methyl-1'-(3-methylbutanoyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide (PubChem CID 146069600) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-methyl-1'-(3-methylbutanoyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-methyl-1'-(3-methylbutanoyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
PubChem CID146069600
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC NameN-(cyclopropylmethyl)-1-methyl-1'-(3-methylbutanoyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
SMILESCC(C)CC(=O)N1CCC2(CC1)Cc1c(c(C(=O)NCC3CC3)nn1C)CO2
InChIInChI=1S/C21H32N4O3/c1-14(2)10-18(26)25-8-6-21(7-9-25)11-17-16(13-28-21)19(23-24(17)3)20(27)22-12-15-4-5-15/h14-15H,4-13H2,1-3H3,(H,22,27)
InChIKeyYQXZUPCTQBZRTH-UHFFFAOYSA-N
XLogP2.04
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-1'-(3-imidazol-1-ylpropanoyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 146069585
1'-(3-cyclopentylpropanoyl)-1-methyl-N-propan-2-ylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 146067908
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-(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
1'-(benzenesulfonyl)-N-(cyclopropylmethyl)-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 146069606
N-cyclopropyl-1'-[2-(4-fluorophenoxy)acetyl]-1-methylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 146069523
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
1'-(3-methoxybenzoyl)-1-methyl-N-propylspiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide
CID 146068271
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

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-methyl-1'-(3-methylbutanoyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-methyl-1'-(3-methylbutanoyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide (CID 146069600) is N-(cyclopropylmethyl)-1-methyl-1'-(3-methylbutanoyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-methyl-1'-(3-methylbutanoyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-methyl-1'-(3-methylbutanoyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide is CC(C)CC(=O)N1CCC2(CC1)Cc1c(c(C(=O)NCC3CC3)nn1C)CO2.
What is the InChIKey of N-(cyclopropylmethyl)-1-methyl-1'-(3-methylbutanoyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide?
The InChIKey is YQXZUPCTQBZRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-14(2)10-18(26)25-8-6-21(7-9-25)11-17-16(13-28-21)19(23-24(17)3)20(27)22-12-15-4-5-15/h14-15H,4-13H2,1-3H3,(H,22,27).
What are the key properties of N-(cyclopropylmethyl)-1-methyl-1'-(3-methylbutanoyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide?
N-(cyclopropylmethyl)-1-methyl-1'-(3-methylbutanoyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide has a molecular weight of 388.51 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-methyl-1'-(3-methylbutanoyl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-carboxamide is sourced from PubChem (CID 146069600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).