4-acetyl-3-ethyl-5-methyl-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide

C19H31N3O2 — CID 94800034

IUPAC4-acetyl-3-ethyl-5-methyl-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
SMILESCCc1c(C(=O)NC[C@H]2CCCN(C(C)C)C2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C19H31N3O2/c1-6-16-17(14(5)23)13(4)21-18(16)19(24)20-10-15-8-7-9-22(11-15)12(2)3/h12,15,21H,6-11H2,1-5H3,(H,20,24)/t15-/m1/s1
InChIKeyJGQLKIXCCYLUSQ-OAHLLOKOSA-N
MW333.48 g/mol
LogP2.94
Rot. Bonds6

About 4-acetyl-3-ethyl-5-methyl-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide

4-acetyl-3-ethyl-5-methyl-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide (PubChem CID 94800034) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 4-acetyl-3-ethyl-5-methyl-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-3-ethyl-5-methyl-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
PubChem CID94800034
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name4-acetyl-3-ethyl-5-methyl-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
SMILESCCc1c(C(=O)NC[C@H]2CCCN(C(C)C)C2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C19H31N3O2/c1-6-16-17(14(5)23)13(4)21-18(16)19(24)20-10-15-8-7-9-22(11-15)12(2)3/h12,15,21H,6-11H2,1-5H3,(H,20,24)/t15-/m1/s1
InChIKeyJGQLKIXCCYLUSQ-OAHLLOKOSA-N
XLogP2.94
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-acetyl-3-ethyl-5-methyl-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3-ethyl-5-methyl-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-3-ethyl-5-methyl-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide (CID 94800034) is 4-acetyl-3-ethyl-5-methyl-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-3-ethyl-5-methyl-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-3-ethyl-5-methyl-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide is CCc1c(C(=O)NC[C@H]2CCCN(C(C)C)C2)[nH]c(C)c1C(C)=O.
What is the InChIKey of 4-acetyl-3-ethyl-5-methyl-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is JGQLKIXCCYLUSQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-6-16-17(14(5)23)13(4)21-18(16)19(24)20-10-15-8-7-9-22(11-15)12(2)3/h12,15,21H,6-11H2,1-5H3,(H,20,24)/t15-/m1/s1.
What are the key properties of 4-acetyl-3-ethyl-5-methyl-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide?
4-acetyl-3-ethyl-5-methyl-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 333.48 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-3-ethyl-5-methyl-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 94800034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).