piperidin-1-yl-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methanone

C14H24N2O — CID 4053223

IUPACpiperidin-1-yl-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methanone
SMILESCC1(C)C=C(C(=O)N2CCCCC2)C(C)(C)N1
InChIInChI=1S/C14H24N2O/c1-13(2)10-11(14(3,4)15-13)12(17)16-8-6-5-7-9-16/h10,15H,5-9H2,1-4H3
InChIKeyWWDXJSJOPZNCAJ-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.09
Rot. Bonds1

About piperidin-1-yl-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methanone

piperidin-1-yl-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methanone (PubChem CID 4053223) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is piperidin-1-yl-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Namepiperidin-1-yl-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methanone
PubChem CID4053223
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Namepiperidin-1-yl-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methanone
SMILESCC1(C)C=C(C(=O)N2CCCCC2)C(C)(C)N1
InChIInChI=1S/C14H24N2O/c1-13(2)10-11(14(3,4)15-13)12(17)16-8-6-5-7-9-16/h10,15H,5-9H2,1-4H3
InChIKeyWWDXJSJOPZNCAJ-UHFFFAOYSA-N
XLogP2.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
CID 14305438
N,2,2,5,5-pentamethyl-2,5-dihydro-1H-pyrrole-3-carboxamide
CID 723465
4-[(2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)carbonyl]morpholine
CID 3502186
CID 10683353
CID 10683353
N-(1-acetylpiperidin-4-yl)-2-methylpent-2-enamide
CID 71896948
(E)-N-(1-acetylpiperidin-4-yl)-2-methylpent-2-enamide
CID 94151524
N-(2-aminoethyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
CID 14305435
N-(4-aminobutyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
CID 14305439
1-(3-Aminopropyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide
CID 19818566
3-(1-Piperidin-1-ylethyl)pyrrole-2,5-dione
CID 19877894
1-(4-Aminobutyl)-2,2,5,5-tetramethylpyrrole-3-carboxamide
CID 20148683
1-Butyl-3-(2-methylpropyl)-1,8-diazaspiro[4.5]dec-3-en-2-one;hydrochloride
CID 23109359

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methanone?
The IUPAC name of piperidin-1-yl-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methanone (CID 4053223) is piperidin-1-yl-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methanone.
What is the SMILES notation for piperidin-1-yl-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methanone?
The canonical SMILES for piperidin-1-yl-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methanone is CC1(C)C=C(C(=O)N2CCCCC2)C(C)(C)N1.
What is the InChIKey of piperidin-1-yl-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methanone?
The InChIKey is WWDXJSJOPZNCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-13(2)10-11(14(3,4)15-13)12(17)16-8-6-5-7-9-16/h10,15H,5-9H2,1-4H3.
What are the key properties of piperidin-1-yl-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methanone?
piperidin-1-yl-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methanone has a molecular weight of 236.36 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 4053223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).