formic acid;4-imidazol-1-yl-N-(2-methoxyethyl)-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide

C19H27N5O4 — CID 171695932

IUPACformic acid;4-imidazol-1-yl-N-(2-methoxyethyl)-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1(n2ccnc2)CCN(Cc2cccnc2)CC1.O=CO
InChIInChI=1S/C18H25N5O2.CH2O2/c1-25-12-8-21-17(24)18(23-11-7-20-15-23)4-9-22(10-5-18)14-16-3-2-6-19-13-16;2-1-3/h2-3,6-7,11,13,15H,4-5,8-10,12,14H2,1H3,(H,21,24);1H,(H,2,3)
InChIKeyYFTFLDBJRVXALZ-UHFFFAOYSA-N
MW389.46 g/mol
LogP0.73
Rot. Bonds7

About formic acid;4-imidazol-1-yl-N-(2-methoxyethyl)-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide

formic acid;4-imidazol-1-yl-N-(2-methoxyethyl)-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 171695932) has the molecular formula C19H27N5O4 and a molecular weight of 389.46 g/mol. Its IUPAC name is formic acid;4-imidazol-1-yl-N-(2-methoxyethyl)-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Nameformic acid;4-imidazol-1-yl-N-(2-methoxyethyl)-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide
PubChem CID171695932
Molecular FormulaC19H27N5O4
Molecular Weight389.46 g/mol
Exact Mass389.21
IUPAC Nameformic acid;4-imidazol-1-yl-N-(2-methoxyethyl)-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1(n2ccnc2)CCN(Cc2cccnc2)CC1.O=CO
InChIInChI=1S/C18H25N5O2.CH2O2/c1-25-12-8-21-17(24)18(23-11-7-20-15-23)4-9-22(10-5-18)14-16-3-2-6-19-13-16;2-1-3/h2-3,6-7,11,13,15H,4-5,8-10,12,14H2,1H3,(H,21,24);1H,(H,2,3)
InChIKeyYFTFLDBJRVXALZ-UHFFFAOYSA-N
XLogP0.73
TPSA109.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

formic acid;4-imidazol-1-yl-N-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 155875558
4-imidazol-1-yl-N-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 155871591
1-[(2-chlorophenyl)methyl]-4-imidazol-1-yl-N-(2-methoxyethyl)piperidine-4-carboxamide;formic acid
CID 155871130
4-imidazol-1-yl-N-(2-methoxyethyl)-1-(2-phenylethyl)piperidine-4-carboxamide
CID 155872596
N-(2-methoxyethyl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide
CID 42532364
N-(2-methoxyethyl)-2-pyridin-3-ylacetamide
CID 110697049
(3S)-N-(2-methoxyethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95218435
4-imidazol-1-yl-1-(2-phenylethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 155871135
2-(2-methoxyethoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 103606916
1-[(3,5-dimethoxyphenyl)methyl]-4-imidazol-1-yl-N,N-dimethylpiperidine-4-carboxamide
CID 155877437
2-methoxy-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 46684654
2-methoxy-N-[2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]acetamide
CID 45249485

Frequently Asked Questions

What is the IUPAC name of formic acid;4-imidazol-1-yl-N-(2-methoxyethyl)-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of formic acid;4-imidazol-1-yl-N-(2-methoxyethyl)-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide (CID 171695932) is formic acid;4-imidazol-1-yl-N-(2-methoxyethyl)-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for formic acid;4-imidazol-1-yl-N-(2-methoxyethyl)-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for formic acid;4-imidazol-1-yl-N-(2-methoxyethyl)-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide is COCCNC(=O)C1(n2ccnc2)CCN(Cc2cccnc2)CC1.O=CO.
What is the InChIKey of formic acid;4-imidazol-1-yl-N-(2-methoxyethyl)-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The InChIKey is YFTFLDBJRVXALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2.CH2O2/c1-25-12-8-21-17(24)18(23-11-7-20-15-23)4-9-22(10-5-18)14-16-3-2-6-19-13-16;2-1-3/h2-3,6-7,11,13,15H,4-5,8-10,12,14H2,1H3,(H,21,24);1H,(H,2,3).
What are the key properties of formic acid;4-imidazol-1-yl-N-(2-methoxyethyl)-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
formic acid;4-imidazol-1-yl-N-(2-methoxyethyl)-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 0.73, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;4-imidazol-1-yl-N-(2-methoxyethyl)-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 171695932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).