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

C20H29N5O6 — CID 155875558

IUPACformic acid;4-imidazol-1-yl-N-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1(n2ccnc2)CCN(Cc2ccncc2)CC1.O=CO.O=CO
InChIInChI=1S/C18H25N5O2.2CH2O2/c1-25-13-9-21-17(24)18(23-12-8-20-15-23)4-10-22(11-5-18)14-16-2-6-19-7-3-16;2*2-1-3/h2-3,6-8,12,15H,4-5,9-11,13-14H2,1H3,(H,21,24);2*1H,(H,2,3)
InChIKeySAFGVIIVNZWNRN-UHFFFAOYSA-N
MW435.48 g/mol
LogP0.43
Rot. Bonds7

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

formic acid;4-imidazol-1-yl-N-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide (PubChem CID 155875558) has the molecular formula C20H29N5O6 and a molecular weight of 435.48 g/mol. Its IUPAC name is formic acid;4-imidazol-1-yl-N-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Nameformic acid;4-imidazol-1-yl-N-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide
PubChem CID155875558
Molecular FormulaC20H29N5O6
Molecular Weight435.48 g/mol
Exact Mass435.21
IUPAC Nameformic acid;4-imidazol-1-yl-N-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1(n2ccnc2)CCN(Cc2ccncc2)CC1.O=CO.O=CO
InChIInChI=1S/C18H25N5O2.2CH2O2/c1-25-13-9-21-17(24)18(23-12-8-20-15-23)4-10-22(11-5-18)14-16-2-6-19-7-3-16;2*2-1-3/h2-3,6-8,12,15H,4-5,9-11,13-14H2,1H3,(H,21,24);2*1H,(H,2,3)
InChIKeySAFGVIIVNZWNRN-UHFFFAOYSA-N
XLogP0.43
TPSA146.88 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

4-imidazol-1-yl-N-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 155871591
formic acid;4-imidazol-1-yl-N-(2-methoxyethyl)-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 171695932
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-(cyclopropylmethyl)-3-imidazol-1-yl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide;formic acid
CID 155878922
4-imidazol-1-yl-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine-4-carboxylic acid
CID 56898257
3-(3-fluoroanilino)-N-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 155874713
1-[(2-chlorophenyl)methyl]-4-imidazol-1-yl-N,N-dimethylpiperidine-4-carboxamide;formic acid
CID 171695756
1-[(3,5-dimethoxyphenyl)methyl]-4-imidazol-1-yl-N,N-dimethylpiperidine-4-carboxamide
CID 155877437
1-[(3-chloro-5-fluorophenyl)methyl]-4-imidazol-1-ylpiperidine-4-carboxylic acid
CID 56894489
formic acid;N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide
CID 155874464
4-(methoxymethyl)-1-[(4-pyridin-4-ylphenyl)methyl]piperidine-4-carboxylic acid
CID 167777899

Frequently Asked Questions

What is the IUPAC name of formic acid;4-imidazol-1-yl-N-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of formic acid;4-imidazol-1-yl-N-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide (CID 155875558) is formic acid;4-imidazol-1-yl-N-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for formic acid;4-imidazol-1-yl-N-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for formic acid;4-imidazol-1-yl-N-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide is COCCNC(=O)C1(n2ccnc2)CCN(Cc2ccncc2)CC1.O=CO.O=CO.
What is the InChIKey of formic acid;4-imidazol-1-yl-N-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide?
The InChIKey is SAFGVIIVNZWNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2.2CH2O2/c1-25-13-9-21-17(24)18(23-12-8-20-15-23)4-10-22(11-5-18)14-16-2-6-19-7-3-16;2*2-1-3/h2-3,6-8,12,15H,4-5,9-11,13-14H2,1H3,(H,21,24);2*1H,(H,2,3).
What are the key properties of formic acid;4-imidazol-1-yl-N-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide?
formic acid;4-imidazol-1-yl-N-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide has a molecular weight of 435.48 g/mol, XLogP of 0.43, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;4-imidazol-1-yl-N-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 155875558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).