[9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(5-methyl-1H-imidazol-2-yl)methanone

C17H26N4O — CID 45228350

IUPAC[9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(5-methyl-1H-imidazol-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCC3(CCCN(CC4CC4)C3)C2)[nH]1
InChIInChI=1S/C17H26N4O/c1-13-9-18-15(19-13)16(22)21-8-6-17(12-21)5-2-7-20(11-17)10-14-3-4-14/h9,14H,2-8,10-12H2,1H3,(H,18,19)
InChIKeyCGCGQEOUTPLCMY-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.06
Rot. Bonds3

About [9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(5-methyl-1H-imidazol-2-yl)methanone

[9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(5-methyl-1H-imidazol-2-yl)methanone (PubChem CID 45228350) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is [9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(5-methyl-1H-imidazol-2-yl)methanone.

Molecular Properties

Compound Name[9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(5-methyl-1H-imidazol-2-yl)methanone
PubChem CID45228350
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name[9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(5-methyl-1H-imidazol-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCC3(CCCN(CC4CC4)C3)C2)[nH]1
InChIInChI=1S/C17H26N4O/c1-13-9-18-15(19-13)16(22)21-8-6-17(12-21)5-2-7-20(11-17)10-14-3-4-14/h9,14H,2-8,10-12H2,1H3,(H,18,19)
InChIKeyCGCGQEOUTPLCMY-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-1-[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide
CID 45186446
9-(Cyclopropylmethyl)-1-methyl-4-[(4-methyl-1H-imidazol-2-YL)methyl]-1,4,9-triazaspiro[5.6]dodecan-10-one
CID 72861225
2-[8-(1H-imidazol-5-ylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide
CID 97396907
3-{[1-(cyclopropylmethyl)-5-methyl-1H-imidazol-2-yl]methyl}-N-ethyltetrahydro-1(2H)-pyridinecarboxamide
CID 91923909
2-(diethylamino)-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone
CID 71990140
(3S*,4R*)-4-isopropyl-N,N-dimethyl-1-[(4-methyl-1H-imidazol-2-yl)carbonyl]pyrrolidin-3-amine
CID 72931422
N-[(1-ethylpiperidin-4-yl)methyl]-4-methyl-1H-imidazole-2-carboxamide
CID 77086075
{1-[(4-methyl-1H-imidazol-2-yl)carbonyl]-4-propylpiperidin-4-yl}methanol
CID 77091772
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-methyl-1H-imidazole-2-carboxamide
CID 91793008
N-[cyclopropyl(1-methyl-1H-imidazol-2-yl)methyl]-4-methyl-1H-imidazole-2-carboxamide
CID 91794163
4-methyl-N-[2-methyl-1-(1-methyl-1H-imidazol-2-yl)propyl]-1H-imidazole-2-carboxamide
CID 91830682
2-[2-(dimethylamino)ethyl]-4-ethyl-5-[(3S)-1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-one
CID 95192232

Frequently Asked Questions

What is the IUPAC name of [9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(5-methyl-1H-imidazol-2-yl)methanone?
The IUPAC name of [9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(5-methyl-1H-imidazol-2-yl)methanone (CID 45228350) is [9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(5-methyl-1H-imidazol-2-yl)methanone.
What is the SMILES notation for [9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(5-methyl-1H-imidazol-2-yl)methanone?
The canonical SMILES for [9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(5-methyl-1H-imidazol-2-yl)methanone is Cc1cnc(C(=O)N2CCC3(CCCN(CC4CC4)C3)C2)[nH]1.
What is the InChIKey of [9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(5-methyl-1H-imidazol-2-yl)methanone?
The InChIKey is CGCGQEOUTPLCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-13-9-18-15(19-13)16(22)21-8-6-17(12-21)5-2-7-20(11-17)10-14-3-4-14/h9,14H,2-8,10-12H2,1H3,(H,18,19).
What are the key properties of [9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(5-methyl-1H-imidazol-2-yl)methanone?
[9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(5-methyl-1H-imidazol-2-yl)methanone has a molecular weight of 302.42 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(5-methyl-1H-imidazol-2-yl)methanone is sourced from PubChem (CID 45228350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).