1,2,5-trimethyl-N-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide

C15H25N3O — CID 125144865

IUPAC1,2,5-trimethyl-N-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCCN2CCCCC2)c(C)n1C
InChIInChI=1S/C15H25N3O/c1-12-11-14(13(2)17(12)3)15(19)16-7-10-18-8-5-4-6-9-18/h11H,4-10H2,1-3H3,(H,16,19)
InChIKeyAYVAZHMHHTYVIN-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.86
Rot. Bonds4

About 1,2,5-trimethyl-N-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide

1,2,5-trimethyl-N-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide (PubChem CID 125144865) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1,2,5-trimethyl-N-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name1,2,5-trimethyl-N-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide
PubChem CID125144865
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1,2,5-trimethyl-N-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCCN2CCCCC2)c(C)n1C
InChIInChI=1S/C15H25N3O/c1-12-11-14(13(2)17(12)3)15(19)16-7-10-18-8-5-4-6-9-18/h11H,4-10H2,1-3H3,(H,16,19)
InChIKeyAYVAZHMHHTYVIN-UHFFFAOYSA-N
XLogP1.86
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(azepan-1-yl)ethyl]-2-bromo-5-methylbenzamide
CID 80979640
3,4-dimethyl-N-(2-piperidin-1-ylethyl)benzamide
CID 25237097
5-amino-N-[2-(azepan-1-yl)ethyl]-2-methylpyridine-3-carboxamide
CID 61241531
5-amino-N-[2-(azepan-1-yl)ethyl]-2-fluoro-3-methylbenzamide
CID 103296218
2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide
CID 17173706
5-amino-2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide
CID 107184833
N-[(3S)-1-ethylpiperidin-3-yl]-1,2,5-trimethylpyrrole-3-carboxamide
CID 124752653
N-(2-piperidin-1-ylethyl)-2-propanoylbenzamide
CID 170276492
N-[2-(azepan-1-yl)ethyl]-2-(methylamino)benzamide
CID 61377294
2-chloro-4,5-difluoro-N-(2-piperidin-1-ylethyl)benzamide
CID 17173608
N-cyclopentyl-1,2,5-trimethylpyrrole-3-carboxamide
CID 110691228
6-fluoro-2-methyl-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
CID 42750288

Frequently Asked Questions

What is the IUPAC name of 1,2,5-trimethyl-N-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide?
The IUPAC name of 1,2,5-trimethyl-N-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide (CID 125144865) is 1,2,5-trimethyl-N-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide.
What is the SMILES notation for 1,2,5-trimethyl-N-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide?
The canonical SMILES for 1,2,5-trimethyl-N-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide is Cc1cc(C(=O)NCCN2CCCCC2)c(C)n1C.
What is the InChIKey of 1,2,5-trimethyl-N-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide?
The InChIKey is AYVAZHMHHTYVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12-11-14(13(2)17(12)3)15(19)16-7-10-18-8-5-4-6-9-18/h11H,4-10H2,1-3H3,(H,16,19).
What are the key properties of 1,2,5-trimethyl-N-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide?
1,2,5-trimethyl-N-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide has a molecular weight of 263.38 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethyl-N-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 125144865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).