N-(2-chloroprop-2-enyl)-1-piperidin-4-ylpyrrole-2-carboxamide

C13H18ClN3O — CID 115739736

IUPACN-(2-chloroprop-2-enyl)-1-piperidin-4-ylpyrrole-2-carboxamide
SMILESC=C(Cl)CNC(=O)c1cccn1C1CCNCC1
InChIInChI=1S/C13H18ClN3O/c1-10(14)9-16-13(18)12-3-2-8-17(12)11-4-6-15-7-5-11/h2-3,8,11,15H,1,4-7,9H2,(H,16,18)
InChIKeyAKYPZVHKPGRJLS-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.89
Rot. Bonds4

About N-(2-chloroprop-2-enyl)-1-piperidin-4-ylpyrrole-2-carboxamide

N-(2-chloroprop-2-enyl)-1-piperidin-4-ylpyrrole-2-carboxamide (PubChem CID 115739736) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-1-piperidin-4-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-1-piperidin-4-ylpyrrole-2-carboxamide
PubChem CID115739736
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC NameN-(2-chloroprop-2-enyl)-1-piperidin-4-ylpyrrole-2-carboxamide
SMILESC=C(Cl)CNC(=O)c1cccn1C1CCNCC1
InChIInChI=1S/C13H18ClN3O/c1-10(14)9-16-13(18)12-3-2-8-17(12)11-4-6-15-7-5-11/h2-3,8,11,15H,1,4-7,9H2,(H,16,18)
InChIKeyAKYPZVHKPGRJLS-UHFFFAOYSA-N
XLogP1.89
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-hydroxypropyl]-1-piperidin-4-ylpyrrole-2-carboxamide
CID 107221129
N-(2-ethylsulfonylethyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 103810373
N-[(2,2-dimethylcyclopropyl)methyl]-1-piperidin-4-ylpyrrole-2-carboxamide
CID 103811345
3-methyl-1-(1-piperidin-4-ylpyrrol-2-yl)but-3-en-1-one
CID 116564816
N-(2-methyl-2-methylsulfanylpropyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 115739845
1-piperidin-4-yl-N-(2-pyrazol-1-ylethyl)pyrrole-2-carboxamide
CID 62716104
1-piperidin-4-yl-N-(2,3,3-trimethylbutyl)pyrrole-2-carboxamide
CID 81494193
N-(furan-2-ylmethyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 62716089
N-[(1-methylpyrrol-3-yl)methyl]-1-piperidin-4-ylpyrrole-2-carboxamide
CID 103814714
N-(oxolan-2-ylmethyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 62716770
N-hex-5-ynyl-1-piperidin-4-ylpyrrole-2-carboxamide
CID 106213127
1-cyclopropyl-N-(pyrrolidin-3-ylmethyl)pyrrole-2-carboxamide
CID 80564395

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-1-piperidin-4-ylpyrrole-2-carboxamide?
The IUPAC name of N-(2-chloroprop-2-enyl)-1-piperidin-4-ylpyrrole-2-carboxamide (CID 115739736) is N-(2-chloroprop-2-enyl)-1-piperidin-4-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-1-piperidin-4-ylpyrrole-2-carboxamide?
The canonical SMILES for N-(2-chloroprop-2-enyl)-1-piperidin-4-ylpyrrole-2-carboxamide is C=C(Cl)CNC(=O)c1cccn1C1CCNCC1.
What is the InChIKey of N-(2-chloroprop-2-enyl)-1-piperidin-4-ylpyrrole-2-carboxamide?
The InChIKey is AKYPZVHKPGRJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-10(14)9-16-13(18)12-3-2-8-17(12)11-4-6-15-7-5-11/h2-3,8,11,15H,1,4-7,9H2,(H,16,18).
What are the key properties of N-(2-chloroprop-2-enyl)-1-piperidin-4-ylpyrrole-2-carboxamide?
N-(2-chloroprop-2-enyl)-1-piperidin-4-ylpyrrole-2-carboxamide has a molecular weight of 267.76 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-1-piperidin-4-ylpyrrole-2-carboxamide is sourced from PubChem (CID 115739736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).