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

C19H31N3O2 — CID 46330440

IUPACN-butan-2-yl-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide
SMILESCCC(C)NC(=O)CC1CCN(C(=O)c2[nH]c(C)c(C)c2C)CC1
InChIInChI=1S/C19H31N3O2/c1-6-12(2)20-17(23)11-16-7-9-22(10-8-16)19(24)18-14(4)13(3)15(5)21-18/h12,16,21H,6-11H2,1-5H3,(H,20,23)
InChIKeyYIKVRQYHUWGHCE-UHFFFAOYSA-N
MW333.48 g/mol
LogP3.10
Rot. Bonds5

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

N-butan-2-yl-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide (PubChem CID 46330440) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N-butan-2-yl-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide
PubChem CID46330440
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC NameN-butan-2-yl-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide
SMILESCCC(C)NC(=O)CC1CCN(C(=O)c2[nH]c(C)c(C)c2C)CC1
InChIInChI=1S/C19H31N3O2/c1-6-12(2)20-17(23)11-16-7-9-22(10-8-16)19(24)18-14(4)13(3)15(5)21-18/h12,16,21H,6-11H2,1-5H3,(H,20,23)
InChIKeyYIKVRQYHUWGHCE-UHFFFAOYSA-N
XLogP3.10
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-butan-2-yl-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide 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 N-butan-2-yl-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of N-butan-2-yl-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide (CID 46330440) is N-butan-2-yl-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide is CCC(C)NC(=O)CC1CCN(C(=O)c2[nH]c(C)c(C)c2C)CC1.
What is the InChIKey of N-butan-2-yl-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is YIKVRQYHUWGHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-6-12(2)20-17(23)11-16-7-9-22(10-8-16)19(24)18-14(4)13(3)15(5)21-18/h12,16,21H,6-11H2,1-5H3,(H,20,23).
What are the key properties of N-butan-2-yl-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide?
N-butan-2-yl-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 333.48 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 46330440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).