cyclopropyl-(1-piperidin-4-ylpyrrol-2-yl)methanone

C13H18N2O — CID 116564829

IUPACcyclopropyl-(1-piperidin-4-ylpyrrol-2-yl)methanone
SMILESO=C(c1cccn1C1CCNCC1)C1CC1
InChIInChI=1S/C13H18N2O/c16-13(10-3-4-10)12-2-1-9-15(12)11-5-7-14-8-6-11/h1-2,9-11,14H,3-8H2
InChIKeyHJMGROXNPFNESY-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.01
Rot. Bonds3

About cyclopropyl-(1-piperidin-4-ylpyrrol-2-yl)methanone

cyclopropyl-(1-piperidin-4-ylpyrrol-2-yl)methanone (PubChem CID 116564829) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is cyclopropyl-(1-piperidin-4-ylpyrrol-2-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(1-piperidin-4-ylpyrrol-2-yl)methanone
PubChem CID116564829
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Namecyclopropyl-(1-piperidin-4-ylpyrrol-2-yl)methanone
SMILESO=C(c1cccn1C1CCNCC1)C1CC1
InChIInChI=1S/C13H18N2O/c16-13(10-3-4-10)12-2-1-9-15(12)11-5-7-14-8-6-11/h1-2,9-11,14H,3-8H2
InChIKeyHJMGROXNPFNESY-UHFFFAOYSA-N
XLogP2.01
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 62716935
morpholin-4-yl-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 62715735
3-methyl-1-(1-piperidin-4-ylpyrrol-2-yl)but-3-en-1-one
CID 116564816
(3,5-dimethylpiperidin-1-yl)-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 62716093
(3,5-difluorophenyl)-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 116564823
(2-fluorophenyl)-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 116564738
5,5,5-trifluoro-1-(1-piperidin-4-ylpyrrol-2-yl)pentan-1-one
CID 116564797
2-methyl-2-[(1-piperidin-4-ylpyrrole-2-carbonyl)amino]propanoic acid
CID 62715245
1-(1-piperidin-4-ylpyrrol-2-yl)-2-propan-2-yloxyethanone
CID 116564730
N-(2-chloroprop-2-enyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 115739736
N-ethyl-1-piperidin-4-yl-N-propan-2-ylpyrrole-2-carboxamide
CID 62716450
N-(3-methylpentan-3-yl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 106328568

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(1-piperidin-4-ylpyrrol-2-yl)methanone?
The IUPAC name of cyclopropyl-(1-piperidin-4-ylpyrrol-2-yl)methanone (CID 116564829) is cyclopropyl-(1-piperidin-4-ylpyrrol-2-yl)methanone.
What is the SMILES notation for cyclopropyl-(1-piperidin-4-ylpyrrol-2-yl)methanone?
The canonical SMILES for cyclopropyl-(1-piperidin-4-ylpyrrol-2-yl)methanone is O=C(c1cccn1C1CCNCC1)C1CC1.
What is the InChIKey of cyclopropyl-(1-piperidin-4-ylpyrrol-2-yl)methanone?
The InChIKey is HJMGROXNPFNESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c16-13(10-3-4-10)12-2-1-9-15(12)11-5-7-14-8-6-11/h1-2,9-11,14H,3-8H2.
What are the key properties of cyclopropyl-(1-piperidin-4-ylpyrrol-2-yl)methanone?
cyclopropyl-(1-piperidin-4-ylpyrrol-2-yl)methanone has a molecular weight of 218.30 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(1-piperidin-4-ylpyrrol-2-yl)methanone is sourced from PubChem (CID 116564829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).