2-[1-(imidazol-1-ylmethyl)cyclopropanecarbonyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one

C19H28N4O2 — CID 72870818

IUPAC2-[1-(imidazol-1-ylmethyl)cyclopropanecarbonyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)N1CCCC2(CCN(C(=O)C3(Cn4ccnc4)CC3)C2)C1=O
InChIInChI=1S/C19H28N4O2/c1-15(2)23-9-3-4-18(17(23)25)7-10-22(13-18)16(24)19(5-6-19)12-21-11-8-20-14-21/h8,11,14-15H,3-7,9-10,12-13H2,1-2H3
InChIKeyKLYHEKBWVPIIQS-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.91
Rot. Bonds4

About 2-[1-(imidazol-1-ylmethyl)cyclopropanecarbonyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one

2-[1-(imidazol-1-ylmethyl)cyclopropanecarbonyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72870818) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-[1-(imidazol-1-ylmethyl)cyclopropanecarbonyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-[1-(imidazol-1-ylmethyl)cyclopropanecarbonyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72870818
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name2-[1-(imidazol-1-ylmethyl)cyclopropanecarbonyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)N1CCCC2(CCN(C(=O)C3(Cn4ccnc4)CC3)C2)C1=O
InChIInChI=1S/C19H28N4O2/c1-15(2)23-9-3-4-18(17(23)25)7-10-22(13-18)16(24)19(5-6-19)12-21-11-8-20-14-21/h8,11,14-15H,3-7,9-10,12-13H2,1-2H3
InChIKeyKLYHEKBWVPIIQS-UHFFFAOYSA-N
XLogP1.91
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[1-(imidazol-1-ylmethyl)cyclopropanecarbonyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(imidazol-1-ylmethyl)cyclopropanecarbonyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-[1-(imidazol-1-ylmethyl)cyclopropanecarbonyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one (CID 72870818) is 2-[1-(imidazol-1-ylmethyl)cyclopropanecarbonyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-[1-(imidazol-1-ylmethyl)cyclopropanecarbonyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-[1-(imidazol-1-ylmethyl)cyclopropanecarbonyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one is CC(C)N1CCCC2(CCN(C(=O)C3(Cn4ccnc4)CC3)C2)C1=O.
What is the InChIKey of 2-[1-(imidazol-1-ylmethyl)cyclopropanecarbonyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is KLYHEKBWVPIIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-15(2)23-9-3-4-18(17(23)25)7-10-22(13-18)16(24)19(5-6-19)12-21-11-8-20-14-21/h8,11,14-15H,3-7,9-10,12-13H2,1-2H3.
What are the key properties of 2-[1-(imidazol-1-ylmethyl)cyclopropanecarbonyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
2-[1-(imidazol-1-ylmethyl)cyclopropanecarbonyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 344.46 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(imidazol-1-ylmethyl)cyclopropanecarbonyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72870818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).