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

C18H29N3O2 — CID 46330382

IUPACN-butan-2-yl-2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide
SMILESCCC(C)NC(=O)CC1CCN(C(=O)c2[nH]c(C)cc2C)CC1
InChIInChI=1S/C18H29N3O2/c1-5-13(3)19-16(22)11-15-6-8-21(9-7-15)18(23)17-12(2)10-14(4)20-17/h10,13,15,20H,5-9,11H2,1-4H3,(H,19,22)
InChIKeyWUOBCOSMIIZJOT-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.79
Rot. Bonds5

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

N-butan-2-yl-2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide (PubChem CID 46330382) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-butan-2-yl-2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide
PubChem CID46330382
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN-butan-2-yl-2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide
SMILESCCC(C)NC(=O)CC1CCN(C(=O)c2[nH]c(C)cc2C)CC1
InChIInChI=1S/C18H29N3O2/c1-5-13(3)19-16(22)11-15-6-8-21(9-7-15)18(23)17-12(2)10-14(4)20-17/h10,13,15,20H,5-9,11H2,1-4H3,(H,19,22)
InChIKeyWUOBCOSMIIZJOT-UHFFFAOYSA-N
XLogP2.79
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of N-butan-2-yl-2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide (CID 46330382) is N-butan-2-yl-2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide is CCC(C)NC(=O)CC1CCN(C(=O)c2[nH]c(C)cc2C)CC1.
What is the InChIKey of N-butan-2-yl-2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is WUOBCOSMIIZJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-5-13(3)19-16(22)11-15-6-8-21(9-7-15)18(23)17-12(2)10-14(4)20-17/h10,13,15,20H,5-9,11H2,1-4H3,(H,19,22).
What are the key properties of N-butan-2-yl-2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide?
N-butan-2-yl-2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 319.45 g/mol, XLogP of 2.79, 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-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 46330382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).