(5R)-2-[(2-butyl-1H-imidazol-5-yl)methyl]-7-(2-cyclohexylethyl)-2,7-diazaspiro[4.5]decan-6-one

C24H40N4O — CID 95877011

IUPAC(5R)-2-[(2-butyl-1H-imidazol-5-yl)methyl]-7-(2-cyclohexylethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCCCc1ncc(CN2CC[C@]3(CCCN(CCC4CCCCC4)C3=O)C2)[nH]1
InChIInChI=1S/C24H40N4O/c1-2-3-10-22-25-17-21(26-22)18-27-16-13-24(19-27)12-7-14-28(23(24)29)15-11-20-8-5-4-6-9-20/h17,20H,2-16,18-19H2,1H3,(H,25,26)/t24-/m1/s1
InChIKeyMEHFGNNSALYJGI-XMMPIXPASA-N
MW400.61 g/mol
LogP4.54
Rot. Bonds8

About (5R)-2-[(2-butyl-1H-imidazol-5-yl)methyl]-7-(2-cyclohexylethyl)-2,7-diazaspiro[4.5]decan-6-one

(5R)-2-[(2-butyl-1H-imidazol-5-yl)methyl]-7-(2-cyclohexylethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 95877011) has the molecular formula C24H40N4O and a molecular weight of 400.61 g/mol. Its IUPAC name is (5R)-2-[(2-butyl-1H-imidazol-5-yl)methyl]-7-(2-cyclohexylethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-2-[(2-butyl-1H-imidazol-5-yl)methyl]-7-(2-cyclohexylethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID95877011
Molecular FormulaC24H40N4O
Molecular Weight400.61 g/mol
Exact Mass400.32
IUPAC Name(5R)-2-[(2-butyl-1H-imidazol-5-yl)methyl]-7-(2-cyclohexylethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCCCc1ncc(CN2CC[C@]3(CCCN(CCC4CCCCC4)C3=O)C2)[nH]1
InChIInChI=1S/C24H40N4O/c1-2-3-10-22-25-17-21(26-22)18-27-16-13-24(19-27)12-7-14-28(23(24)29)15-11-20-8-5-4-6-9-20/h17,20H,2-16,18-19H2,1H3,(H,25,26)/t24-/m1/s1
InChIKeyMEHFGNNSALYJGI-XMMPIXPASA-N
XLogP4.54
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.61
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5R)-2-[(2-butyl-1H-imidazol-5-yl)methyl]-7-(2-cyclohexylethyl)-2,7-diazaspiro[4.5]decan-6-one with MolForge

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Launch Full Analysis

Related Compounds

7-(2-cyclohexylethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 45212678
(4R,5S)-7-[(2-butyl-1H-imidazol-5-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 165427310
(5S)-7-(2-cyclohexylethyl)-2-methylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
CID 42465599
(5S,6S)-9-[(2-butyl-1H-imidazol-5-yl)methyl]-6-methoxy-1-oxa-9-azaspiro[4.5]decane
CID 110156456
(5R)-7-(cyclopropylmethyl)-2-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 26401866
(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-prop-2-enylpiperidine-3-carboxylic acid
CID 97136190
7-(2-cyclohexylethyl)-2-(2-methylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45226798
(5S)-7-(cyclopropylmethyl)-2-(1H-imidazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 26407443
(5R)-7-(cyclopropylmethyl)-2-(1H-imidazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 26407445
7-(cyclobutylmethyl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72844843
(5R)-2-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-7-(cyclohexylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 126423351
1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)piperidine
CID 110106399

Frequently Asked Questions

What is the IUPAC name of (5R)-2-[(2-butyl-1H-imidazol-5-yl)methyl]-7-(2-cyclohexylethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-2-[(2-butyl-1H-imidazol-5-yl)methyl]-7-(2-cyclohexylethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 95877011) is (5R)-2-[(2-butyl-1H-imidazol-5-yl)methyl]-7-(2-cyclohexylethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-2-[(2-butyl-1H-imidazol-5-yl)methyl]-7-(2-cyclohexylethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-2-[(2-butyl-1H-imidazol-5-yl)methyl]-7-(2-cyclohexylethyl)-2,7-diazaspiro[4.5]decan-6-one is CCCCc1ncc(CN2CC[C@]3(CCCN(CCC4CCCCC4)C3=O)C2)[nH]1.
What is the InChIKey of (5R)-2-[(2-butyl-1H-imidazol-5-yl)methyl]-7-(2-cyclohexylethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is MEHFGNNSALYJGI-XMMPIXPASA-N. The full InChI is InChI=1S/C24H40N4O/c1-2-3-10-22-25-17-21(26-22)18-27-16-13-24(19-27)12-7-14-28(23(24)29)15-11-20-8-5-4-6-9-20/h17,20H,2-16,18-19H2,1H3,(H,25,26)/t24-/m1/s1.
What are the key properties of (5R)-2-[(2-butyl-1H-imidazol-5-yl)methyl]-7-(2-cyclohexylethyl)-2,7-diazaspiro[4.5]decan-6-one?
(5R)-2-[(2-butyl-1H-imidazol-5-yl)methyl]-7-(2-cyclohexylethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 400.61 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-[(2-butyl-1H-imidazol-5-yl)methyl]-7-(2-cyclohexylethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 95877011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).