N-(3-methoxypropyl)-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide

C19H31N3O3 — CID 46330466

IUPACN-(3-methoxypropyl)-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide
SMILESCOCCCNC(=O)CC1CCN(C(=O)c2[nH]c(C)c(C)c2C)CC1
InChIInChI=1S/C19H31N3O3/c1-13-14(2)18(21-15(13)3)19(24)22-9-6-16(7-10-22)12-17(23)20-8-5-11-25-4/h16,21H,5-12H2,1-4H3,(H,20,23)
InChIKeyORBVLKPUMRBBED-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.33
Rot. Bonds7

About N-(3-methoxypropyl)-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide

N-(3-methoxypropyl)-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide (PubChem CID 46330466) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide
PubChem CID46330466
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC NameN-(3-methoxypropyl)-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide
SMILESCOCCCNC(=O)CC1CCN(C(=O)c2[nH]c(C)c(C)c2C)CC1
InChIInChI=1S/C19H31N3O3/c1-13-14(2)18(21-15(13)3)19(24)22-9-6-16(7-10-22)12-17(23)20-8-5-11-25-4/h16,21H,5-12H2,1-4H3,(H,20,23)
InChIKeyORBVLKPUMRBBED-UHFFFAOYSA-N
XLogP2.33
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-acetyl-N-cyclohexyl-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 3241255
1-[5-(3,5-dimethylpiperidine-1-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 3570670
4-Acetyl-3-Ethyl-N,5-Dimethyl-1h-Pyrrole-2-Carboxamide
CID 47265390
4-acetyl-N-(3-ethoxypropyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 3237458
4-acetyl-3,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 3239996
4-acetyl-3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrrole-2-carboxamide
CID 3240615
4-acetyl-N-[2-(2-ethylpiperidin-1-yl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 3241671
1-[5-(azepan-1-ylcarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 3242282
4-acetyl-N-(2-cyclohex-1-en-1-ylethyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 3242976
4-acetyl-N-cyclohexyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
CID 3244637
4-acetyl-N-(cyclohexylmethyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 2531339
1-{2,4-dimethyl-5-[(3-methylpiperidin-1-yl)carbonyl]-1H-pyrrol-3-yl}ethanone
CID 5147247

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide (CID 46330466) is N-(3-methoxypropyl)-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide is COCCCNC(=O)CC1CCN(C(=O)c2[nH]c(C)c(C)c2C)CC1.
What is the InChIKey of N-(3-methoxypropyl)-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is ORBVLKPUMRBBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-13-14(2)18(21-15(13)3)19(24)22-9-6-16(7-10-22)12-17(23)20-8-5-11-25-4/h16,21H,5-12H2,1-4H3,(H,20,23).
What are the key properties of N-(3-methoxypropyl)-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide?
N-(3-methoxypropyl)-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 349.48 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 46330466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).