4-acetyl-5-methyl-N-(2-methylpiperidin-3-yl)-3-propyl-1H-pyrrole-2-carboxamide;hydrochloride

C17H28ClN3O2 — CID 120577658

IUPAC4-acetyl-5-methyl-N-(2-methylpiperidin-3-yl)-3-propyl-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCCCc1c(C(=O)NC2CCCNC2C)[nH]c(C)c1C(C)=O.Cl
InChIInChI=1S/C17H27N3O2.ClH/c1-5-7-13-15(12(4)21)11(3)19-16(13)17(22)20-14-8-6-9-18-10(14)2;/h10,14,18-19H,5-9H2,1-4H3,(H,20,22);1H
InChIKeyIXVVYRNBYYWSAU-UHFFFAOYSA-N
MW341.88 g/mol
LogP2.77
Rot. Bonds5

About 4-acetyl-5-methyl-N-(2-methylpiperidin-3-yl)-3-propyl-1H-pyrrole-2-carboxamide;hydrochloride

4-acetyl-5-methyl-N-(2-methylpiperidin-3-yl)-3-propyl-1H-pyrrole-2-carboxamide;hydrochloride (PubChem CID 120577658) has the molecular formula C17H28ClN3O2 and a molecular weight of 341.88 g/mol. Its IUPAC name is 4-acetyl-5-methyl-N-(2-methylpiperidin-3-yl)-3-propyl-1H-pyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-acetyl-5-methyl-N-(2-methylpiperidin-3-yl)-3-propyl-1H-pyrrole-2-carboxamide;hydrochloride
PubChem CID120577658
Molecular FormulaC17H28ClN3O2
Molecular Weight341.88 g/mol
Exact Mass341.19
IUPAC Name4-acetyl-5-methyl-N-(2-methylpiperidin-3-yl)-3-propyl-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCCCc1c(C(=O)NC2CCCNC2C)[nH]c(C)c1C(C)=O.Cl
InChIInChI=1S/C17H27N3O2.ClH/c1-5-7-13-15(12(4)21)11(3)19-16(13)17(22)20-14-8-6-9-18-10(14)2;/h10,14,18-19H,5-9H2,1-4H3,(H,20,22);1H
InChIKeyIXVVYRNBYYWSAU-UHFFFAOYSA-N
XLogP2.77
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.88
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-5-methyl-N-piperidin-4-yl-3-propyl-1H-pyrrole-2-carboxamide
CID 119388518
4-[(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229808
trans-(1S,2S)-2-[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 97324250
4-acetyl-3-ethyl-5-methyl-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide
CID 119451704
4-acetyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide
CID 120946611
4-acetyl-N-[(2S)-1-aminopropan-2-yl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide
CID 120508905
4-acetyl-N-(2-adamantyl)-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
CID 112844893
3-ethyl-N-(2-methylpiperidin-3-yl)thiophene-2-carboxamide;hydrochloride
CID 120575332
4-acetyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-3-propyl-1H-pyrrole-2-carboxamide
CID 47265588
4-acetyl-5-methyl-3-propyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-pyrrole-2-carboxamide
CID 55858740
1-[5-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-2-methyl-4-propyl-1H-pyrrol-3-yl]ethanone;hydrochloride
CID 119623871
4-acetyl-5-methyl-N-[1-(5-oxo-1,2-dihydropyrazol-3-yl)ethyl]-3-propyl-1H-pyrrole-2-carboxamide
CID 166394329

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-5-methyl-N-(2-methylpiperidin-3-yl)-3-propyl-1H-pyrrole-2-carboxamide;hydrochloride?
The IUPAC name of 4-acetyl-5-methyl-N-(2-methylpiperidin-3-yl)-3-propyl-1H-pyrrole-2-carboxamide;hydrochloride (CID 120577658) is 4-acetyl-5-methyl-N-(2-methylpiperidin-3-yl)-3-propyl-1H-pyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-acetyl-5-methyl-N-(2-methylpiperidin-3-yl)-3-propyl-1H-pyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for 4-acetyl-5-methyl-N-(2-methylpiperidin-3-yl)-3-propyl-1H-pyrrole-2-carboxamide;hydrochloride is CCCc1c(C(=O)NC2CCCNC2C)[nH]c(C)c1C(C)=O.Cl.
What is the InChIKey of 4-acetyl-5-methyl-N-(2-methylpiperidin-3-yl)-3-propyl-1H-pyrrole-2-carboxamide;hydrochloride?
The InChIKey is IXVVYRNBYYWSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2.ClH/c1-5-7-13-15(12(4)21)11(3)19-16(13)17(22)20-14-8-6-9-18-10(14)2;/h10,14,18-19H,5-9H2,1-4H3,(H,20,22);1H.
What are the key properties of 4-acetyl-5-methyl-N-(2-methylpiperidin-3-yl)-3-propyl-1H-pyrrole-2-carboxamide;hydrochloride?
4-acetyl-5-methyl-N-(2-methylpiperidin-3-yl)-3-propyl-1H-pyrrole-2-carboxamide;hydrochloride has a molecular weight of 341.88 g/mol, XLogP of 2.77, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-5-methyl-N-(2-methylpiperidin-3-yl)-3-propyl-1H-pyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 120577658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).