N-(4-methylpiperidin-4-yl)-1-propan-2-ylpyrrole-2-carboxamide

C14H23N3O — CID 114696521

IUPACN-(4-methylpiperidin-4-yl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cccc1C(=O)NC1(C)CCNCC1
InChIInChI=1S/C14H23N3O/c1-11(2)17-10-4-5-12(17)13(18)16-14(3)6-8-15-9-7-14/h4-5,10-11,15H,6-9H2,1-3H3,(H,16,18)
InChIKeyZGRZCADNLWSYGX-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.94
Rot. Bonds3

About N-(4-methylpiperidin-4-yl)-1-propan-2-ylpyrrole-2-carboxamide

N-(4-methylpiperidin-4-yl)-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 114696521) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(4-methylpiperidin-4-yl)-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-methylpiperidin-4-yl)-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID114696521
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-(4-methylpiperidin-4-yl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cccc1C(=O)NC1(C)CCNCC1
InChIInChI=1S/C14H23N3O/c1-11(2)17-10-4-5-12(17)13(18)16-14(3)6-8-15-9-7-14/h4-5,10-11,15H,6-9H2,1-3H3,(H,16,18)
InChIKeyZGRZCADNLWSYGX-UHFFFAOYSA-N
XLogP1.94
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyethyl)-N-(4-methylpiperidin-4-yl)pyrrole-2-carboxamide
CID 114696201
N-(4-methylpiperidin-4-yl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 114696598
[4-methyl-4-(methylamino)piperidin-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone
CID 115304443
1-benzyl-N-(3-methylpyrrolidin-3-yl)pyrrole-2-carboxamide
CID 107422969
N-(3-methylpyrrolidin-3-yl)-4-nitro-1-propan-2-ylpyrrole-2-carboxamide
CID 107422852
(2,2-dimethylpiperazin-1-yl)-(1-propan-2-ylpyrrol-2-yl)methanone
CID 65460739
1-methyl-2-[(1-propan-2-ylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 82760756
N-(4-methylpiperidin-4-yl)-4-methylsulfinylbenzamide
CID 123155925
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 115869201
N-[2-(hydroxymethyl)cyclopentyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 103873957
N-(4-methylpiperidin-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103121107
3-hydroxy-N-(4-methylpiperidin-4-yl)pyridine-2-carboxamide
CID 114696622

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperidin-4-yl)-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of N-(4-methylpiperidin-4-yl)-1-propan-2-ylpyrrole-2-carboxamide (CID 114696521) is N-(4-methylpiperidin-4-yl)-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-(4-methylpiperidin-4-yl)-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for N-(4-methylpiperidin-4-yl)-1-propan-2-ylpyrrole-2-carboxamide is CC(C)n1cccc1C(=O)NC1(C)CCNCC1.
What is the InChIKey of N-(4-methylpiperidin-4-yl)-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is ZGRZCADNLWSYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11(2)17-10-4-5-12(17)13(18)16-14(3)6-8-15-9-7-14/h4-5,10-11,15H,6-9H2,1-3H3,(H,16,18).
What are the key properties of N-(4-methylpiperidin-4-yl)-1-propan-2-ylpyrrole-2-carboxamide?
N-(4-methylpiperidin-4-yl)-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperidin-4-yl)-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 114696521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).