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

C17H27N3O2 — CID 3239996

IUPAC4-acetyl-3,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)NCCN2CCC(C)CC2)c1C
InChIInChI=1S/C17H27N3O2/c1-11-5-8-20(9-6-11)10-7-18-17(22)16-12(2)15(14(4)21)13(3)19-16/h11,19H,5-10H2,1-4H3,(H,18,22)
InChIKeyBNANBSRYBXHOBD-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.30
Rot. Bonds5

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

4-acetyl-3,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1H-pyrrole-2-carboxamide (PubChem CID 3239996) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 4-acetyl-3,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-3,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1H-pyrrole-2-carboxamide
PubChem CID3239996
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name4-acetyl-3,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)NCCN2CCC(C)CC2)c1C
InChIInChI=1S/C17H27N3O2/c1-11-5-8-20(9-6-11)10-7-18-17(22)16-12(2)15(14(4)21)13(3)19-16/h11,19H,5-10H2,1-4H3,(H,18,22)
InChIKeyBNANBSRYBXHOBD-UHFFFAOYSA-N
XLogP2.30
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-3,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1H-pyrrole-2-carboxamide (CID 3239996) is 4-acetyl-3,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-3,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-3,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1H-pyrrole-2-carboxamide is CC(=O)c1c(C)[nH]c(C(=O)NCCN2CCC(C)CC2)c1C.
What is the InChIKey of 4-acetyl-3,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is BNANBSRYBXHOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-11-5-8-20(9-6-11)10-7-18-17(22)16-12(2)15(14(4)21)13(3)19-16/h11,19H,5-10H2,1-4H3,(H,18,22).
What are the key properties of 4-acetyl-3,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1H-pyrrole-2-carboxamide?
4-acetyl-3,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 2.30, 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)ethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 3239996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).