formic acid;3-(1H-imidazol-2-yl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide

C15H23N7O3 — CID 154907745

IUPACformic acid;3-(1H-imidazol-2-yl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide
SMILESCn1ncnc1CCNC(=O)N1CCCC(c2ncc[nH]2)C1.O=CO
InChIInChI=1S/C14H21N7O.CH2O2/c1-20-12(18-10-19-20)4-5-17-14(22)21-8-2-3-11(9-21)13-15-6-7-16-13;2-1-3/h6-7,10-11H,2-5,8-9H2,1H3,(H,15,16)(H,17,22);1H,(H,2,3)
InChIKeyIOUHLAPWRRFWDB-UHFFFAOYSA-N
MW349.40 g/mol
LogP0.37
Rot. Bonds4

About formic acid;3-(1H-imidazol-2-yl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide

formic acid;3-(1H-imidazol-2-yl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide (PubChem CID 154907745) has the molecular formula C15H23N7O3 and a molecular weight of 349.40 g/mol. Its IUPAC name is formic acid;3-(1H-imidazol-2-yl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Nameformic acid;3-(1H-imidazol-2-yl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide
PubChem CID154907745
Molecular FormulaC15H23N7O3
Molecular Weight349.40 g/mol
Exact Mass349.19
IUPAC Nameformic acid;3-(1H-imidazol-2-yl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide
SMILESCn1ncnc1CCNC(=O)N1CCCC(c2ncc[nH]2)C1.O=CO
InChIInChI=1S/C14H21N7O.CH2O2/c1-20-12(18-10-19-20)4-5-17-14(22)21-8-2-3-11(9-21)13-15-6-7-16-13;2-1-3/h6-7,10-11H,2-5,8-9H2,1H3,(H,15,16)(H,17,22);1H,(H,2,3)
InChIKeyIOUHLAPWRRFWDB-UHFFFAOYSA-N
XLogP0.37
TPSA129.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-(1H-imidazol-2-yl)-N-[3-(4-methylphenyl)propyl]piperidine-1-carboxamide
CID 126437006
(3R)-3-(1H-imidazol-2-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidine-1-carboxamide
CID 126451352
N-[3-(furan-2-yl)propyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 122562007
(3R)-N-[2-(2,5-difluorophenyl)ethyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 97319285
3-(1H-imidazol-2-yl)piperidine-1-carboxylic acid
CID 90026172
(3R)-3-(1H-imidazol-2-yl)-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]piperidine-1-carboxamide
CID 95968956
3-(1H-imidazol-2-yl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-1-carboxamide
CID 166188674
3-(1H-imidazol-2-yl)-N-(2-methyl-3-morpholin-4-ylpropyl)piperidine-1-carboxamide
CID 127345387
(3S)-3-(1H-imidazol-2-yl)-N-[(2R)-2-phenylsulfanylpropyl]piperidine-1-carboxamide
CID 95968867
(3S)-3-(1H-imidazol-2-yl)-N-[(2S)-2-(4-methylphenoxy)propyl]piperidine-1-carboxamide
CID 95968600
N-[2-(4-ethylphenyl)-2-methylpropyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 136513087
3-(1H-imidazol-2-yl)-N-[(3-methoxy-2-methylphenyl)methyl]piperidine-1-carboxamide
CID 136553406

Frequently Asked Questions

What is the IUPAC name of formic acid;3-(1H-imidazol-2-yl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide?
The IUPAC name of formic acid;3-(1H-imidazol-2-yl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide (CID 154907745) is formic acid;3-(1H-imidazol-2-yl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for formic acid;3-(1H-imidazol-2-yl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for formic acid;3-(1H-imidazol-2-yl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide is Cn1ncnc1CCNC(=O)N1CCCC(c2ncc[nH]2)C1.O=CO.
What is the InChIKey of formic acid;3-(1H-imidazol-2-yl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide?
The InChIKey is IOUHLAPWRRFWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7O.CH2O2/c1-20-12(18-10-19-20)4-5-17-14(22)21-8-2-3-11(9-21)13-15-6-7-16-13;2-1-3/h6-7,10-11H,2-5,8-9H2,1H3,(H,15,16)(H,17,22);1H,(H,2,3).
What are the key properties of formic acid;3-(1H-imidazol-2-yl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide?
formic acid;3-(1H-imidazol-2-yl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide has a molecular weight of 349.40 g/mol, XLogP of 0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;3-(1H-imidazol-2-yl)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 154907745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).