N-[4-(7-azaspiro[3.5]nonane-7-carbonyl)-3-[3-(trifluoromethyl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide

C24H30F3N3O2 — CID 157036371

IUPACN-[4-(7-azaspiro[3.5]nonane-7-carbonyl)-3-[3-(trifluoromethyl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCC3(CCC3)CC2)c(N2CCC(C(F)(F)F)C2)c1)C1CC1
InChIInChI=1S/C24H30F3N3O2/c25-24(26,27)17-6-11-30(15-17)20-14-18(28-21(31)16-2-3-16)4-5-19(20)22(32)29-12-9-23(10-13-29)7-1-8-23/h4-5,14,16-17H,1-3,6-13,15H2,(H,28,31)
InChIKeyDELIHXBLXGKFIH-UHFFFAOYSA-N
MW449.52 g/mol
LogP4.83
Rot. Bonds4

About N-[4-(7-azaspiro[3.5]nonane-7-carbonyl)-3-[3-(trifluoromethyl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide

N-[4-(7-azaspiro[3.5]nonane-7-carbonyl)-3-[3-(trifluoromethyl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide (PubChem CID 157036371) has the molecular formula C24H30F3N3O2 and a molecular weight of 449.52 g/mol. Its IUPAC name is N-[4-(7-azaspiro[3.5]nonane-7-carbonyl)-3-[3-(trifluoromethyl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(7-azaspiro[3.5]nonane-7-carbonyl)-3-[3-(trifluoromethyl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide
PubChem CID157036371
Molecular FormulaC24H30F3N3O2
Molecular Weight449.52 g/mol
Exact Mass449.23
IUPAC NameN-[4-(7-azaspiro[3.5]nonane-7-carbonyl)-3-[3-(trifluoromethyl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCC3(CCC3)CC2)c(N2CCC(C(F)(F)F)C2)c1)C1CC1
InChIInChI=1S/C24H30F3N3O2/c25-24(26,27)17-6-11-30(15-17)20-14-18(28-21(31)16-2-3-16)4-5-19(20)22(32)29-12-9-23(10-13-29)7-1-8-23/h4-5,14,16-17H,1-3,6-13,15H2,(H,28,31)
InChIKeyDELIHXBLXGKFIH-UHFFFAOYSA-N
XLogP4.83
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.52
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(azepan-1-yl)-4-(piperidine-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 53146022
N-[3-(6-azaspiro[3.4]octan-6-yl)-4-(1,1-dioxo-1,4-thiazine-4-carbonyl)phenyl]cyclopropanecarboxamide
CID 175890889
tert-butyl 4-[2-(azepan-1-yl)-4-(cyclopropanecarbonylamino)benzoyl]piperazine-1-carboxylate
CID 157036231
N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]cyclopropanecarboxamide
CID 42751185
N-[3-(azepan-1-yl)-4-(4-pyridin-3-ylpiperazine-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 157036100
N-[3-(azepan-1-yl)-4-[4-(1,2-oxazol-3-ylmethyl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 157036237
N-[4-[(2S)-2-phenylpyrrolidine-1-carbonyl]-3-pyrrolidin-1-ylphenyl]cyclopropanecarboxamide
CID 170160660
N-(1-cyclopropylethenyl)-4-[1-(4-methyl-2-phenylpiperazin-1-yl)ethenyl]-3-[3-(trifluoromethyl)pyrrolidin-1-yl]aniline
CID 166820130
N-[4-[2-(4-fluorophenyl)-4-methylpiperazine-1-carbonyl]-3-pyrrolidin-1-ylphenyl]cyclopropanecarboxamide
CID 167526089
N-[3-(azepan-1-yl)-4-[2-(hydroxymethyl)-4-methylpiperazine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 157036289
N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]cyclopentanecarboxamide
CID 42678411
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)cyclopropanecarboxamide
CID 47311897

Frequently Asked Questions

What is the IUPAC name of N-[4-(7-azaspiro[3.5]nonane-7-carbonyl)-3-[3-(trifluoromethyl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(7-azaspiro[3.5]nonane-7-carbonyl)-3-[3-(trifluoromethyl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide (CID 157036371) is N-[4-(7-azaspiro[3.5]nonane-7-carbonyl)-3-[3-(trifluoromethyl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(7-azaspiro[3.5]nonane-7-carbonyl)-3-[3-(trifluoromethyl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(7-azaspiro[3.5]nonane-7-carbonyl)-3-[3-(trifluoromethyl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide is O=C(Nc1ccc(C(=O)N2CCC3(CCC3)CC2)c(N2CCC(C(F)(F)F)C2)c1)C1CC1.
What is the InChIKey of N-[4-(7-azaspiro[3.5]nonane-7-carbonyl)-3-[3-(trifluoromethyl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide?
The InChIKey is DELIHXBLXGKFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F3N3O2/c25-24(26,27)17-6-11-30(15-17)20-14-18(28-21(31)16-2-3-16)4-5-19(20)22(32)29-12-9-23(10-13-29)7-1-8-23/h4-5,14,16-17H,1-3,6-13,15H2,(H,28,31).
What are the key properties of N-[4-(7-azaspiro[3.5]nonane-7-carbonyl)-3-[3-(trifluoromethyl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide?
N-[4-(7-azaspiro[3.5]nonane-7-carbonyl)-3-[3-(trifluoromethyl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide has a molecular weight of 449.52 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7-azaspiro[3.5]nonane-7-carbonyl)-3-[3-(trifluoromethyl)pyrrolidin-1-yl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 157036371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).