N-[2-(1H-imidazol-5-yl)ethyl]-7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecane-3-carboxamide

C16H26N6O2 — CID 119064340

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecane-3-carboxamide
SMILESCN1CCCNC(=O)C12CCN(C(=O)NCCc1cnc[nH]1)CC2
InChIInChI=1S/C16H26N6O2/c1-21-8-2-6-18-14(23)16(21)4-9-22(10-5-16)15(24)19-7-3-13-11-17-12-20-13/h11-12H,2-10H2,1H3,(H,17,20)(H,18,23)(H,19,24)
InChIKeyNSOWXNSHCJRTEM-UHFFFAOYSA-N
MW334.42 g/mol
LogP-0.05
Rot. Bonds3

About N-[2-(1H-imidazol-5-yl)ethyl]-7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecane-3-carboxamide

N-[2-(1H-imidazol-5-yl)ethyl]-7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecane-3-carboxamide (PubChem CID 119064340) has the molecular formula C16H26N6O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecane-3-carboxamide
PubChem CID119064340
Molecular FormulaC16H26N6O2
Molecular Weight334.42 g/mol
Exact Mass334.21
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecane-3-carboxamide
SMILESCN1CCCNC(=O)C12CCN(C(=O)NCCc1cnc[nH]1)CC2
InChIInChI=1S/C16H26N6O2/c1-21-8-2-6-18-14(23)16(21)4-9-22(10-5-16)15(24)19-7-3-13-11-17-12-20-13/h11-12H,2-10H2,1H3,(H,17,20)(H,18,23)(H,19,24)
InChIKeyNSOWXNSHCJRTEM-UHFFFAOYSA-N
XLogP-0.05
TPSA93.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-(1H-imidazol-5-yl)ethyl]-7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecane-3-carboxamide with MolForge

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Related Compounds

N-[2-(1H-imidazol-5-yl)ethyl]-1,4-dimethylpiperidine-4-carboxamide
CID 74237071
1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 65231437
2-[1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-3-oxopiperazin-2-yl]acetic acid
CID 65231671
(2R)-1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 65231667
(3R)-3-ethenyl-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-1-carboxamide
CID 126446909
N-[2-(1H-imidazol-5-yl)ethyl]-2-[1-(methylamino)cyclohexyl]acetamide
CID 65241368
2-(1H-imidazol-5-yl)ethylurea
CID 10582986
N-[2-(1H-imidazol-5-yl)ethyl]-2-methylprop-2-enamide
CID 54544800
1-ethyl-3-[2-(1H-imidazol-5-yl)ethyl]urea
CID 65231782
3-[2-(2,5-dimethoxyphenyl)acetyl]-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one
CID 56743458
3-(4-ethyl-2-methyl-1,3-thiazole-5-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one
CID 56753419
1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 65231065

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecane-3-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecane-3-carboxamide (CID 119064340) is N-[2-(1H-imidazol-5-yl)ethyl]-7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecane-3-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecane-3-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecane-3-carboxamide is CN1CCCNC(=O)C12CCN(C(=O)NCCc1cnc[nH]1)CC2.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecane-3-carboxamide?
The InChIKey is NSOWXNSHCJRTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O2/c1-21-8-2-6-18-14(23)16(21)4-9-22(10-5-16)15(24)19-7-3-13-11-17-12-20-13/h11-12H,2-10H2,1H3,(H,17,20)(H,18,23)(H,19,24).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecane-3-carboxamide?
N-[2-(1H-imidazol-5-yl)ethyl]-7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecane-3-carboxamide has a molecular weight of 334.42 g/mol, XLogP of -0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecane-3-carboxamide is sourced from PubChem (CID 119064340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).