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

C19H31N3O2 — CID 46330471

IUPACN-butyl-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide
SMILESCCCCNC(=O)CC1CCN(C(=O)c2[nH]c(C)c(C)c2C)CC1
InChIInChI=1S/C19H31N3O2/c1-5-6-9-20-17(23)12-16-7-10-22(11-8-16)19(24)18-14(3)13(2)15(4)21-18/h16,21H,5-12H2,1-4H3,(H,20,23)
InChIKeyZVILQOPENSEFAN-UHFFFAOYSA-N
MW333.48 g/mol
LogP3.10
Rot. Bonds6

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

N-butyl-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide (PubChem CID 46330471) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N-butyl-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide
PubChem CID46330471
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC NameN-butyl-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide
SMILESCCCCNC(=O)CC1CCN(C(=O)c2[nH]c(C)c(C)c2C)CC1
InChIInChI=1S/C19H31N3O2/c1-5-6-9-20-17(23)12-16-7-10-22(11-8-16)19(24)18-14(3)13(2)15(4)21-18/h16,21H,5-12H2,1-4H3,(H,20,23)
InChIKeyZVILQOPENSEFAN-UHFFFAOYSA-N
XLogP3.10
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of N-butyl-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide (CID 46330471) is N-butyl-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-butyl-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-butyl-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide is CCCCNC(=O)CC1CCN(C(=O)c2[nH]c(C)c(C)c2C)CC1.
What is the InChIKey of N-butyl-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is ZVILQOPENSEFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-5-6-9-20-17(23)12-16-7-10-22(11-8-16)19(24)18-14(3)13(2)15(4)21-18/h16,21H,5-12H2,1-4H3,(H,20,23).
What are the key properties of N-butyl-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide?
N-butyl-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, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 46330471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).