N-[(3S)-1-ethylpiperidin-3-yl]-1,2,5-trimethylpyrrole-3-carboxamide

C15H25N3O — CID 124752653

IUPACN-[(3S)-1-ethylpiperidin-3-yl]-1,2,5-trimethylpyrrole-3-carboxamide
SMILESCCN1CCC[C@H](NC(=O)c2cc(C)n(C)c2C)C1
InChIInChI=1S/C15H25N3O/c1-5-18-8-6-7-13(10-18)16-15(19)14-9-11(2)17(4)12(14)3/h9,13H,5-8,10H2,1-4H3,(H,16,19)/t13-/m0/s1
InChIKeyKBSNCQIWFKRLME-ZDUSSCGKSA-N
MW263.38 g/mol
LogP1.86
Rot. Bonds3

About N-[(3S)-1-ethylpiperidin-3-yl]-1,2,5-trimethylpyrrole-3-carboxamide

N-[(3S)-1-ethylpiperidin-3-yl]-1,2,5-trimethylpyrrole-3-carboxamide (PubChem CID 124752653) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[(3S)-1-ethylpiperidin-3-yl]-1,2,5-trimethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-ethylpiperidin-3-yl]-1,2,5-trimethylpyrrole-3-carboxamide
PubChem CID124752653
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-[(3S)-1-ethylpiperidin-3-yl]-1,2,5-trimethylpyrrole-3-carboxamide
SMILESCCN1CCC[C@H](NC(=O)c2cc(C)n(C)c2C)C1
InChIInChI=1S/C15H25N3O/c1-5-18-8-6-7-13(10-18)16-15(19)14-9-11(2)17(4)12(14)3/h9,13H,5-8,10H2,1-4H3,(H,16,19)/t13-/m0/s1
InChIKeyKBSNCQIWFKRLME-ZDUSSCGKSA-N
XLogP1.86
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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-cyclopentyl-1,2,5-trimethylpyrrole-3-carboxamide
CID 110691228
N-(1-ethylpiperidin-3-yl)-2-hydroxy-5-methylbenzamide
CID 47344801
4-amino-N-(1-ethylpiperidin-3-yl)-6-methylpyridine-3-carboxamide
CID 81242550
5-amino-N-(1-ethylpiperidin-3-yl)-2-fluoro-3-methylbenzamide
CID 103296207
5-amino-2-chloro-N-(1-ethylpiperidin-3-yl)benzamide
CID 61170350
N-(1-ethylpiperidin-3-yl)-4-oxo-1H-pyridine-3-carboxamide
CID 114039106
3-bromo-N-(1-ethylpiperidin-3-yl)-5-methylbenzamide
CID 113460717
5-bromo-N-(1-ethylpiperidin-3-yl)-2-iodobenzamide
CID 113240326
N-(1-ethylpiperidin-3-yl)-2-fluoro-5-sulfanylbenzamide
CID 107025232
N-(1-ethylpiperidin-3-yl)-2-hydroxy-5-methoxybenzamide
CID 61150287
N-(1-ethylpiperidin-3-yl)-2-hydroxy-4-methoxybenzamide
CID 61151217
N-(1-ethylpiperidin-3-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 103765277

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-ethylpiperidin-3-yl]-1,2,5-trimethylpyrrole-3-carboxamide?
The IUPAC name of N-[(3S)-1-ethylpiperidin-3-yl]-1,2,5-trimethylpyrrole-3-carboxamide (CID 124752653) is N-[(3S)-1-ethylpiperidin-3-yl]-1,2,5-trimethylpyrrole-3-carboxamide.
What is the SMILES notation for N-[(3S)-1-ethylpiperidin-3-yl]-1,2,5-trimethylpyrrole-3-carboxamide?
The canonical SMILES for N-[(3S)-1-ethylpiperidin-3-yl]-1,2,5-trimethylpyrrole-3-carboxamide is CCN1CCC[C@H](NC(=O)c2cc(C)n(C)c2C)C1.
What is the InChIKey of N-[(3S)-1-ethylpiperidin-3-yl]-1,2,5-trimethylpyrrole-3-carboxamide?
The InChIKey is KBSNCQIWFKRLME-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25N3O/c1-5-18-8-6-7-13(10-18)16-15(19)14-9-11(2)17(4)12(14)3/h9,13H,5-8,10H2,1-4H3,(H,16,19)/t13-/m0/s1.
What are the key properties of N-[(3S)-1-ethylpiperidin-3-yl]-1,2,5-trimethylpyrrole-3-carboxamide?
N-[(3S)-1-ethylpiperidin-3-yl]-1,2,5-trimethylpyrrole-3-carboxamide has a molecular weight of 263.38 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-ethylpiperidin-3-yl]-1,2,5-trimethylpyrrole-3-carboxamide is sourced from PubChem (CID 124752653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).