7-cyclopentyl-2-(4-imidazol-1-ylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one

C20H30N4O2 — CID 72841640

IUPAC7-cyclopentyl-2-(4-imidazol-1-ylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(CCCn1ccnc1)N1CCC2(CCCN(C3CCCC3)C2=O)C1
InChIInChI=1S/C20H30N4O2/c25-18(7-3-11-22-14-10-21-16-22)23-13-9-20(15-23)8-4-12-24(19(20)26)17-5-1-2-6-17/h10,14,16-17H,1-9,11-13,15H2
InChIKeyOMGPIEFVDNGQSZ-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.45
Rot. Bonds5

About 7-cyclopentyl-2-(4-imidazol-1-ylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one

7-cyclopentyl-2-(4-imidazol-1-ylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72841640) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 7-cyclopentyl-2-(4-imidazol-1-ylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-cyclopentyl-2-(4-imidazol-1-ylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72841640
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name7-cyclopentyl-2-(4-imidazol-1-ylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(CCCn1ccnc1)N1CCC2(CCCN(C3CCCC3)C2=O)C1
InChIInChI=1S/C20H30N4O2/c25-18(7-3-11-22-14-10-21-16-22)23-13-9-20(15-23)8-4-12-24(19(20)26)17-5-1-2-6-17/h10,14,16-17H,1-9,11-13,15H2
InChIKeyOMGPIEFVDNGQSZ-UHFFFAOYSA-N
XLogP2.45
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(dimethylamino)ethyl]-4-{[4-(1-methyl-1H-imidazol-2-yl)-1-piperidinyl]carbonyl}-2-pyrrolidinone
CID 70777043
2-ethyl-9-[2-(1-methyl-1H-imidazol-2-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70777392
2-(3-methyl-2-buten-1-yl)-8-[3-(2-methyl-1H-imidazol-1-yl)propanoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72838620
N-[rel-(3R,4S)-1-cyclopentyl-4-cyclopropyl-3-pyrrolidinyl]-4-(1H-imidazol-1-yl)butanamide dihydrochloride
CID 72852975
8-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione
CID 72871968
2-[4-(1H-imidazol-1-yl)butanoyl]-7-isopropyl-2,7-diazaspiro[4.5]decan-6-one
CID 72873945
2-[(3-Cyclopentylimidazol-4-yl)methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 72889268
2-(Cyclopropylmethyl)-9-[3-(2-methylimidazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72890498
1-(cyclopentylcarbonyl)-N-methyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]-4-piperidinecarboxamide
CID 72898854
1-(cyclopentylcarbonyl)-N-methyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-4-piperidinecarboxamide
CID 72913891
2-isopropyl-9-[4-(2-methyl-1H-imidazol-1-yl)butanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72940511
8-[(1-Methylimidazol-2-yl)methyl]-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97397068

Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-2-(4-imidazol-1-ylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-cyclopentyl-2-(4-imidazol-1-ylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one (CID 72841640) is 7-cyclopentyl-2-(4-imidazol-1-ylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-cyclopentyl-2-(4-imidazol-1-ylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-cyclopentyl-2-(4-imidazol-1-ylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one is O=C(CCCn1ccnc1)N1CCC2(CCCN(C3CCCC3)C2=O)C1.
What is the InChIKey of 7-cyclopentyl-2-(4-imidazol-1-ylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is OMGPIEFVDNGQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c25-18(7-3-11-22-14-10-21-16-22)23-13-9-20(15-23)8-4-12-24(19(20)26)17-5-1-2-6-17/h10,14,16-17H,1-9,11-13,15H2.
What are the key properties of 7-cyclopentyl-2-(4-imidazol-1-ylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one?
7-cyclopentyl-2-(4-imidazol-1-ylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 358.49 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-2-(4-imidazol-1-ylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72841640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).