N-(2-chloroprop-2-enyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide

C13H21ClN2O2 — CID 113238678

IUPACN-(2-chloroprop-2-enyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESC=C(Cl)CNC(=O)C1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C13H21ClN2O2/c1-9(2)13(18)16-6-4-11(5-7-16)12(17)15-8-10(3)14/h9,11H,3-8H2,1-2H3,(H,15,17)
InChIKeyZOASYIZWDRDNQM-UHFFFAOYSA-N
MW272.78 g/mol
LogP1.75
Rot. Bonds4

About N-(2-chloroprop-2-enyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide

N-(2-chloroprop-2-enyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide (PubChem CID 113238678) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
PubChem CID113238678
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC NameN-(2-chloroprop-2-enyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESC=C(Cl)CNC(=O)C1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C13H21ClN2O2/c1-9(2)13(18)16-6-4-11(5-7-16)12(17)15-8-10(3)14/h9,11H,3-8H2,1-2H3,(H,15,17)
InChIKeyZOASYIZWDRDNQM-UHFFFAOYSA-N
XLogP1.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxypropyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 43418235
6-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]hexanoic acid
CID 119220092
N-[3-(dimethylamino)propyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 113003552
2-methyl-2-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid
CID 61262451
1-(2-methylpropanoyl)-N-[(1-phenylcyclopropyl)methyl]piperidine-4-carboxamide
CID 33105504
N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 60573636
N-[2-(4-methoxyphenoxy)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 113005367
N-(4-acetamidophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31669191
2-[4-[2-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]ethyl]phenoxy]acetic acid
CID 119255824
1-(2-methylpropanoyl)-N-(3-phenylsulfanylpropyl)piperidine-4-carboxamide
CID 38572415
N-(1-hydroxy-4-methylpentan-2-yl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 61246188
N-[2-(3-fluorophenyl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 32796393

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-chloroprop-2-enyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide (CID 113238678) is N-(2-chloroprop-2-enyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-chloroprop-2-enyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide is C=C(Cl)CNC(=O)C1CCN(C(=O)C(C)C)CC1.
What is the InChIKey of N-(2-chloroprop-2-enyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The InChIKey is ZOASYIZWDRDNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O2/c1-9(2)13(18)16-6-4-11(5-7-16)12(17)15-8-10(3)14/h9,11H,3-8H2,1-2H3,(H,15,17).
What are the key properties of N-(2-chloroprop-2-enyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide?
N-(2-chloroprop-2-enyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide has a molecular weight of 272.78 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 113238678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).