1-(2-methoxyacetyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-3-carboxamide

C16H26N4O3 — CID 50966365

IUPAC1-(2-methoxyacetyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-3-carboxamide
SMILESCOCC(=O)N1CCCC(C(=O)N(C)CCn2ccnc2C)C1
InChIInChI=1S/C16H26N4O3/c1-13-17-6-8-19(13)10-9-18(2)16(22)14-5-4-7-20(11-14)15(21)12-23-3/h6,8,14H,4-5,7,9-12H2,1-3H3
InChIKeyWPWZNKOTAQZGCR-UHFFFAOYSA-N
MW322.41 g/mol
LogP0.53
Rot. Bonds6

About 1-(2-methoxyacetyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-3-carboxamide

1-(2-methoxyacetyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-3-carboxamide (PubChem CID 50966365) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-(2-methoxyacetyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyacetyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-3-carboxamide
PubChem CID50966365
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name1-(2-methoxyacetyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-3-carboxamide
SMILESCOCC(=O)N1CCCC(C(=O)N(C)CCn2ccnc2C)C1
InChIInChI=1S/C16H26N4O3/c1-13-17-6-8-19(13)10-9-18(2)16(22)14-5-4-7-20(11-14)15(21)12-23-3/h6,8,14H,4-5,7,9-12H2,1-3H3
InChIKeyWPWZNKOTAQZGCR-UHFFFAOYSA-N
XLogP0.53
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Cyclopropylmethoxy)-1-[3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
CID 53603961
4-ethyl-5-(1-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}piperidin-3-yl)-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56718322
1-(ethoxyacetyl)-4-(1-methyl-1H-imidazol-2-yl)piperidine
CID 70720685
4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-(methoxyacetyl)piperidine
CID 70737829
1-(cyclobutylcarbonyl)-N-methyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-4-piperidinecarboxamide
CID 72857947
1-(methoxyacetyl)-N-methyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]-4-piperidinecarboxamide
CID 72880226
N-methyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1-(tetrahydro-2H-pyran-4-yl)-3-piperidinecarboxamide
CID 72923453
1-(cyclopropylcarbonyl)-N-(2-hydroxyethyl)-N-[(1-methyl-1H-imidazol-2-yl)methyl]-4-piperidinecarboxamide
CID 72926706
4-(1-methyl-1H-imidazol-2-yl)-1-[(2,2,3,3-tetrafluoropropoxy)acetyl]piperidine
CID 72935564
4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-(ethoxyacetyl)piperidine
CID 72937922
4-(Cyclopropylmethyl)-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97471417
1-[3-[3-[(2-Methylimidazol-1-yl)methyl]piperidine-1-carbonyl]azetidin-1-yl]ethanone
CID 110246353

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyacetyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-(2-methoxyacetyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-3-carboxamide (CID 50966365) is 1-(2-methoxyacetyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyacetyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyacetyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-3-carboxamide is COCC(=O)N1CCCC(C(=O)N(C)CCn2ccnc2C)C1.
What is the InChIKey of 1-(2-methoxyacetyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is WPWZNKOTAQZGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-13-17-6-8-19(13)10-9-18(2)16(22)14-5-4-7-20(11-14)15(21)12-23-3/h6,8,14H,4-5,7,9-12H2,1-3H3.
What are the key properties of 1-(2-methoxyacetyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-3-carboxamide?
1-(2-methoxyacetyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 0.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyacetyl)-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 50966365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).