N-[[1-(3-methylbut-2-enoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide

C16H27N3O2 — CID 115556934

IUPACN-[[1-(3-methylbut-2-enoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
SMILESCC(C)=CC(=O)N1CCCC(CNC(=O)C2CCCN2)C1
InChIInChI=1S/C16H27N3O2/c1-12(2)9-15(20)19-8-4-5-13(11-19)10-18-16(21)14-6-3-7-17-14/h9,13-14,17H,3-8,10-11H2,1-2H3,(H,18,21)
InChIKeyAEONYKBEZPWCAG-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.06
Rot. Bonds4

About N-[[1-(3-methylbut-2-enoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide

N-[[1-(3-methylbut-2-enoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 115556934) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[[1-(3-methylbut-2-enoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(3-methylbut-2-enoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID115556934
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-[[1-(3-methylbut-2-enoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
SMILESCC(C)=CC(=O)N1CCCC(CNC(=O)C2CCCN2)C1
InChIInChI=1S/C16H27N3O2/c1-12(2)9-15(20)19-8-4-5-13(11-19)10-18-16(21)14-6-3-7-17-14/h9,13-14,17H,3-8,10-11H2,1-2H3,(H,18,21)
InChIKeyAEONYKBEZPWCAG-UHFFFAOYSA-N
XLogP1.06
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[[1-(3-methylbut-2-enoyl)piperidin-3-yl]methyl]pyrrolidine-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

Related Compounds

N-[[1-(4,4-dimethylpent-2-enoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 126817372
(2R)-N-[[(3R)-1-butanoylpiperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 124574195
(2S)-N-[[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 124700133
(2R)-N-[[(3R)-1-(2-cyclopentylidenepropanoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 100649268
(2S)-N-[[(3R)-1-[(2S)-2-cyclopropylpropanoyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 124692085
(2S)-N-[[(3S)-1-[(1S,2R,4R,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 124864363
(2S)-N-[[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 100649814
(2S)-N-[[(3R)-1-(2,5-dimethylfuran-3-carbonyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 124698807
N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 115556890
(2R)-N-[[(3R)-1-(2,3-dimethylbenzoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 100649892
N-(4-acetamido-3-methylphenyl)-3-[(pyrrolidine-2-carbonylamino)methyl]piperidine-1-carboxamide
CID 166402158
N-[[1-[(2-methylcyclopropyl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120843147

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methylbut-2-enoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[[1-(3-methylbut-2-enoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide (CID 115556934) is N-[[1-(3-methylbut-2-enoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[[1-(3-methylbut-2-enoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[[1-(3-methylbut-2-enoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide is CC(C)=CC(=O)N1CCCC(CNC(=O)C2CCCN2)C1.
What is the InChIKey of N-[[1-(3-methylbut-2-enoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is AEONYKBEZPWCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-12(2)9-15(20)19-8-4-5-13(11-19)10-18-16(21)14-6-3-7-17-14/h9,13-14,17H,3-8,10-11H2,1-2H3,(H,18,21).
What are the key properties of N-[[1-(3-methylbut-2-enoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide?
N-[[1-(3-methylbut-2-enoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methylbut-2-enoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 115556934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).