(2,2-difluorocyclopropyl)-[8-(5-methyl-2H-triazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone

C16H21F2N5O2 — CID 171674790

IUPAC(2,2-difluorocyclopropyl)-[8-(5-methyl-2H-triazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone
SMILESCc1n[nH]nc1C(=O)N1CCC2(CC1)CCN(C(=O)C1CC1(F)F)C2
InChIInChI=1S/C16H21F2N5O2/c1-10-12(20-21-19-10)14(25)22-5-2-15(3-6-22)4-7-23(9-15)13(24)11-8-16(11,17)18/h11H,2-9H2,1H3,(H,19,20,21)
InChIKeyDPDNIHRKZUNXST-UHFFFAOYSA-N
MW353.37 g/mol
LogP1.22
Rot. Bonds2

About (2,2-difluorocyclopropyl)-[8-(5-methyl-2H-triazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone

(2,2-difluorocyclopropyl)-[8-(5-methyl-2H-triazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone (PubChem CID 171674790) has the molecular formula C16H21F2N5O2 and a molecular weight of 353.37 g/mol. Its IUPAC name is (2,2-difluorocyclopropyl)-[8-(5-methyl-2H-triazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Name(2,2-difluorocyclopropyl)-[8-(5-methyl-2H-triazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone
PubChem CID171674790
Molecular FormulaC16H21F2N5O2
Molecular Weight353.37 g/mol
Exact Mass353.17
IUPAC Name(2,2-difluorocyclopropyl)-[8-(5-methyl-2H-triazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone
SMILESCc1n[nH]nc1C(=O)N1CCC2(CC1)CCN(C(=O)C1CC1(F)F)C2
InChIInChI=1S/C16H21F2N5O2/c1-10-12(20-21-19-10)14(25)22-5-2-15(3-6-22)4-7-23(9-15)13(24)11-8-16(11,17)18/h11H,2-9H2,1H3,(H,19,20,21)
InChIKeyDPDNIHRKZUNXST-UHFFFAOYSA-N
XLogP1.22
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2,2-difluorocyclopropyl)-[8-(5-methyl-2H-triazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-ethyl-2-[(5-methyl-2H-1,2,3-triazol-4-yl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72870404
(5R)-7-ethyl-2-(5-methyl-2H-triazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97123639
(5S)-7-ethyl-2-(5-methyl-2H-triazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97123640
(4-methylpiperidin-1-yl)-(5-methyl-2H-triazol-4-yl)methanone
CID 110691632
1-(5-methyl-2H-triazole-4-carbonyl)piperidine-4-carboxamide
CID 110691678
(3-methylpiperidin-1-yl)-(5-methyl-2H-triazol-4-yl)methanone
CID 110691713
1-[(5-methyl-2H-1,2,3-triazol-4-yl)carbonyl]-4-(1-pyrrolidin-1-ylethyl)piperidine
CID 118763989
1-[(5-methyl-2H-1,2,3-triazol-4-yl)carbonyl]-4-(2-pyrrolidin-1-ylethyl)piperidine
CID 118768056
N-[(1-Acetylpiperidin-4-YL)methyl]-5-methyl-2H-1,2,3-triazole-4-carboxamide
CID 118771727
1-[(5-methyl-2H-1,2,3-triazol-4-yl)carbonyl]-4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine
CID 118779679
N-[(1-isobutyrylpiperidin-4-yl)methyl]-5-methyl-2H-1,2,3-triazole-4-carboxamide
CID 118785879
N-{[1-(Cyclopropylmethyl)piperidin-4-YL]methyl}-5-methyl-2H-1,2,3-triazole-4-carboxamide
CID 118789579

Frequently Asked Questions

What is the IUPAC name of (2,2-difluorocyclopropyl)-[8-(5-methyl-2H-triazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of (2,2-difluorocyclopropyl)-[8-(5-methyl-2H-triazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone (CID 171674790) is (2,2-difluorocyclopropyl)-[8-(5-methyl-2H-triazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone.
What is the SMILES notation for (2,2-difluorocyclopropyl)-[8-(5-methyl-2H-triazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for (2,2-difluorocyclopropyl)-[8-(5-methyl-2H-triazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone is Cc1n[nH]nc1C(=O)N1CCC2(CC1)CCN(C(=O)C1CC1(F)F)C2.
What is the InChIKey of (2,2-difluorocyclopropyl)-[8-(5-methyl-2H-triazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone?
The InChIKey is DPDNIHRKZUNXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N5O2/c1-10-12(20-21-19-10)14(25)22-5-2-15(3-6-22)4-7-23(9-15)13(24)11-8-16(11,17)18/h11H,2-9H2,1H3,(H,19,20,21).
What are the key properties of (2,2-difluorocyclopropyl)-[8-(5-methyl-2H-triazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone?
(2,2-difluorocyclopropyl)-[8-(5-methyl-2H-triazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone has a molecular weight of 353.37 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluorocyclopropyl)-[8-(5-methyl-2H-triazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 171674790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).