(5S)-7-cyclohexyl-2-(4-imidazol-1-ylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one

C21H32N4O2 — CID 97146419

IUPAC(5S)-7-cyclohexyl-2-(4-imidazol-1-ylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(CCCn1ccnc1)N1CC[C@@]2(CCCN(C3CCCCC3)C2=O)C1
InChIInChI=1S/C21H32N4O2/c26-19(8-4-12-23-15-11-22-17-23)24-14-10-21(16-24)9-5-13-25(20(21)27)18-6-2-1-3-7-18/h11,15,17-18H,1-10,12-14,16H2/t21-/m0/s1
InChIKeyPLACVLLEOGACDV-NRFANRHFSA-N
MW372.51 g/mol
LogP2.84
Rot. Bonds5

About (5S)-7-cyclohexyl-2-(4-imidazol-1-ylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one

(5S)-7-cyclohexyl-2-(4-imidazol-1-ylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97146419) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is (5S)-7-cyclohexyl-2-(4-imidazol-1-ylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-cyclohexyl-2-(4-imidazol-1-ylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97146419
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name(5S)-7-cyclohexyl-2-(4-imidazol-1-ylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(CCCn1ccnc1)N1CC[C@@]2(CCCN(C3CCCCC3)C2=O)C1
InChIInChI=1S/C21H32N4O2/c26-19(8-4-12-23-15-11-22-17-23)24-14-10-21(16-24)9-5-13-25(20(21)27)18-6-2-1-3-7-18/h11,15,17-18H,1-10,12-14,16H2/t21-/m0/s1
InChIKeyPLACVLLEOGACDV-NRFANRHFSA-N
XLogP2.84
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-cyclohexyl-2-(4-imidazol-1-ylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72918966
(5S)-2-(4-imidazol-1-ylbutanoyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 97125136
(5S)-7-cyclohexyl-2-(6-methoxyhexanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97135326
7-cyclohexyl-2-[4-(1H-pyrazol-4-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72898128
(5S)-7-cyclohexyl-2-(2-pyridin-2-ylacetyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97120073
1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-4-imidazol-1-ylbutan-1-one
CID 110159573
3-[2-[(5S)-7-cyclopentyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 97139712
(5S)-7-cyclohexyl-N,N-dimethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 97124799
(5R)-7-cyclopentyl-2-[2-(2-oxoazepan-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97117547
7-cyclohexyl-2-(4-methylpiperazine-1-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72865312
(5R)-7-cyclohexyl-2-(1-methylpyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97156474
(5S)-7-(cyclopropylmethyl)-2-[4-(1,2,4-triazol-1-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97122045

Frequently Asked Questions

What is the IUPAC name of (5S)-7-cyclohexyl-2-(4-imidazol-1-ylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-cyclohexyl-2-(4-imidazol-1-ylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one (CID 97146419) is (5S)-7-cyclohexyl-2-(4-imidazol-1-ylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-cyclohexyl-2-(4-imidazol-1-ylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-cyclohexyl-2-(4-imidazol-1-ylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one is O=C(CCCn1ccnc1)N1CC[C@@]2(CCCN(C3CCCCC3)C2=O)C1.
What is the InChIKey of (5S)-7-cyclohexyl-2-(4-imidazol-1-ylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is PLACVLLEOGACDV-NRFANRHFSA-N. The full InChI is InChI=1S/C21H32N4O2/c26-19(8-4-12-23-15-11-22-17-23)24-14-10-21(16-24)9-5-13-25(20(21)27)18-6-2-1-3-7-18/h11,15,17-18H,1-10,12-14,16H2/t21-/m0/s1.
What are the key properties of (5S)-7-cyclohexyl-2-(4-imidazol-1-ylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-cyclohexyl-2-(4-imidazol-1-ylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 372.51 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-cyclohexyl-2-(4-imidazol-1-ylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97146419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).