4-acetyl-3,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)propyl]-1H-pyrrole-2-carboxamide

C18H29N3O2 — CID 51095665

IUPAC4-acetyl-3,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)propyl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)NCC(C)N2CCC(C)CC2)c1C
InChIInChI=1S/C18H29N3O2/c1-11-6-8-21(9-7-11)12(2)10-19-18(23)17-13(3)16(15(5)22)14(4)20-17/h11-12,20H,6-10H2,1-5H3,(H,19,23)
InChIKeyHZNFRPBTCRUPSZ-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.68
Rot. Bonds5

About 4-acetyl-3,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)propyl]-1H-pyrrole-2-carboxamide

4-acetyl-3,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)propyl]-1H-pyrrole-2-carboxamide (PubChem CID 51095665) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 4-acetyl-3,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)propyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-3,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)propyl]-1H-pyrrole-2-carboxamide
PubChem CID51095665
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name4-acetyl-3,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)propyl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)NCC(C)N2CCC(C)CC2)c1C
InChIInChI=1S/C18H29N3O2/c1-11-6-8-21(9-7-11)12(2)10-19-18(23)17-13(3)16(15(5)22)14(4)20-17/h11-12,20H,6-10H2,1-5H3,(H,19,23)
InChIKeyHZNFRPBTCRUPSZ-UHFFFAOYSA-N
XLogP2.68
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-3,5-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1H-pyrrole-2-carboxamide
CID 18157774
4-acetyl-N-[(2R)-2-(ethylamino)propyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 120651755
methyl 2,4-dimethyl-5-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 16595197
N-[2-(4-methylpiperidin-1-yl)propyl]benzamide
CID 112502434
4-acetyl-N-[3-(4-hydroxypiperidin-1-yl)propyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 111429605
2-(methylamino)-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide
CID 120704077
4-acetyl-3,5-dimethyl-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide;hydrochloride
CID 119452631
4-acetyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 46414503
2-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]-3-sulfamoylbenzamide
CID 75431995
4-acetyl-3,5-dimethyl-N-[[2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 51949843
(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-methylpiperidin-1-ium-1-yl)propan-1-one
CID 8558449
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]propanamide
CID 94798908

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)propyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-3,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)propyl]-1H-pyrrole-2-carboxamide (CID 51095665) is 4-acetyl-3,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)propyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-3,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)propyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-3,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)propyl]-1H-pyrrole-2-carboxamide is CC(=O)c1c(C)[nH]c(C(=O)NCC(C)N2CCC(C)CC2)c1C.
What is the InChIKey of 4-acetyl-3,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)propyl]-1H-pyrrole-2-carboxamide?
The InChIKey is HZNFRPBTCRUPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-11-6-8-21(9-7-11)12(2)10-19-18(23)17-13(3)16(15(5)22)14(4)20-17/h11-12,20H,6-10H2,1-5H3,(H,19,23).
What are the key properties of 4-acetyl-3,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)propyl]-1H-pyrrole-2-carboxamide?
4-acetyl-3,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)propyl]-1H-pyrrole-2-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-3,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)propyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 51095665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).