(5S)-7-cyclopentyl-2-(1H-imidazol-5-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one

C17H26N4O — CID 97116501

IUPAC(5S)-7-cyclopentyl-2-(1H-imidazol-5-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(C2CCCC2)CCC[C@@]12CCN(Cc1cnc[nH]1)C2
InChIInChI=1S/C17H26N4O/c22-16-17(6-3-8-21(16)15-4-1-2-5-15)7-9-20(12-17)11-14-10-18-13-19-14/h10,13,15H,1-9,11-12H2,(H,18,19)/t17-/m0/s1
InChIKeyOZMWFKOYXICQBK-KRWDZBQOSA-N
MW302.42 g/mol
LogP2.17
Rot. Bonds3

About (5S)-7-cyclopentyl-2-(1H-imidazol-5-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one

(5S)-7-cyclopentyl-2-(1H-imidazol-5-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97116501) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is (5S)-7-cyclopentyl-2-(1H-imidazol-5-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-cyclopentyl-2-(1H-imidazol-5-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97116501
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name(5S)-7-cyclopentyl-2-(1H-imidazol-5-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(C2CCCC2)CCC[C@@]12CCN(Cc1cnc[nH]1)C2
InChIInChI=1S/C17H26N4O/c22-16-17(6-3-8-21(16)15-4-1-2-5-15)7-9-20(12-17)11-14-10-18-13-19-14/h10,13,15H,1-9,11-12H2,(H,18,19)/t17-/m0/s1
InChIKeyOZMWFKOYXICQBK-KRWDZBQOSA-N
XLogP2.17
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-(Cyclopropylmethyl)-4-(1H-imidazol-4-ylmethyl)-1-methyl-1,4,9-triazaspiro[5.6]dodecan-10-one
CID 70724883
2-cyclopentyl-N-[rel-(3R,4S)-4-cyclopropyl-1-(1H-imidazol-4-ylmethyl)-3-pyrrolidinyl]acetamide dihydrochloride
CID 72838211
2-[(3-Cyclopentylimidazol-4-yl)methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 72889268
2-[(3-Cyclohexylimidazol-4-yl)methyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 72933218
2-cyclobutyl-N-[rel-(3R,4S)-1-(1H-imidazol-4-ylmethyl)-4-isopropyl-3-pyrrolidinyl]acetamide dihydrochloride
CID 72935029
2-[(3-Cyclohexylimidazol-4-yl)methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 86286878
2-[8-(1H-imidazol-5-ylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide
CID 97396907
(5S)-7-(cyclohexylmethyl)-2-(1H-imidazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 28077373
(6S)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96580518
[4-[(2-amino-1H-imidazol-5-yl)methyl]piperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;trihydrochloride
CID 122191363
N-{[1-(1H-imidazol-5-ylcarbonyl)piperidin-4-yl]methyl}cyclopentanecarboxamide
CID 131896825
(1R,2S)-N-[(1-methylimidazol-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxamide
CID 136587695

Frequently Asked Questions

What is the IUPAC name of (5S)-7-cyclopentyl-2-(1H-imidazol-5-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-cyclopentyl-2-(1H-imidazol-5-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 97116501) is (5S)-7-cyclopentyl-2-(1H-imidazol-5-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-cyclopentyl-2-(1H-imidazol-5-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-cyclopentyl-2-(1H-imidazol-5-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one is O=C1N(C2CCCC2)CCC[C@@]12CCN(Cc1cnc[nH]1)C2.
What is the InChIKey of (5S)-7-cyclopentyl-2-(1H-imidazol-5-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is OZMWFKOYXICQBK-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H26N4O/c22-16-17(6-3-8-21(16)15-4-1-2-5-15)7-9-20(12-17)11-14-10-18-13-19-14/h10,13,15H,1-9,11-12H2,(H,18,19)/t17-/m0/s1.
What are the key properties of (5S)-7-cyclopentyl-2-(1H-imidazol-5-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-cyclopentyl-2-(1H-imidazol-5-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 302.42 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-cyclopentyl-2-(1H-imidazol-5-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97116501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).