4-(2-ethyl-6-fluorobenzoyl)-N-piperidin-4-yl-1H-pyrrole-2-carboxamide

C19H22FN3O2 — CID 118959101

IUPAC4-(2-ethyl-6-fluorobenzoyl)-N-piperidin-4-yl-1H-pyrrole-2-carboxamide
SMILESCCc1cccc(F)c1C(=O)c1c[nH]c(C(=O)NC2CCNCC2)c1
InChIInChI=1S/C19H22FN3O2/c1-2-12-4-3-5-15(20)17(12)18(24)13-10-16(22-11-13)19(25)23-14-6-8-21-9-7-14/h3-5,10-11,14,21-22H,2,6-9H2,1H3,(H,23,25)
InChIKeyFVHRGXAETSISKP-UHFFFAOYSA-N
MW343.40 g/mol
LogP2.43
Rot. Bonds5

About 4-(2-ethyl-6-fluorobenzoyl)-N-piperidin-4-yl-1H-pyrrole-2-carboxamide

4-(2-ethyl-6-fluorobenzoyl)-N-piperidin-4-yl-1H-pyrrole-2-carboxamide (PubChem CID 118959101) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 4-(2-ethyl-6-fluorobenzoyl)-N-piperidin-4-yl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(2-ethyl-6-fluorobenzoyl)-N-piperidin-4-yl-1H-pyrrole-2-carboxamide
PubChem CID118959101
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name4-(2-ethyl-6-fluorobenzoyl)-N-piperidin-4-yl-1H-pyrrole-2-carboxamide
SMILESCCc1cccc(F)c1C(=O)c1c[nH]c(C(=O)NC2CCNCC2)c1
InChIInChI=1S/C19H22FN3O2/c1-2-12-4-3-5-15(20)17(12)18(24)13-10-16(22-11-13)19(25)23-14-6-8-21-9-7-14/h3-5,10-11,14,21-22H,2,6-9H2,1H3,(H,23,25)
InChIKeyFVHRGXAETSISKP-UHFFFAOYSA-N
XLogP2.43
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-cyclopropyl-6-fluorobenzoyl)-N-piperidin-4-yl-1H-pyrrole-2-carboxamide
CID 134610507
4-[2-fluoro-6-(trifluoromethyl)benzoyl]-N-piperidin-4-yl-1H-pyrrole-2-carboxamide
CID 134610620
N-(1-acetylpiperidin-4-yl)-4-(2-chloro-6-fluorobenzoyl)-1H-pyrrole-2-carboxamide
CID 118958964
2,6-difluoro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119385702
2,6-difluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689143
N-(azepan-4-yl)-2-fluoro-6-methoxybenzamide
CID 105059143
4-acetyl-N-(4-hydroxycyclohexyl)-1H-pyrrole-2-carboxamide
CID 43392898
N-(azepan-4-yl)-4-chloro-1H-pyrrole-2-carboxamide
CID 105060146
1-[(2-fluorophenyl)methyl]-3-piperidin-4-ylurea
CID 117235479
4-bromo-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119386400
2-chloro-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119388266
3-(2,3-difluorophenyl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119386108

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-6-fluorobenzoyl)-N-piperidin-4-yl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-(2-ethyl-6-fluorobenzoyl)-N-piperidin-4-yl-1H-pyrrole-2-carboxamide (CID 118959101) is 4-(2-ethyl-6-fluorobenzoyl)-N-piperidin-4-yl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-(2-ethyl-6-fluorobenzoyl)-N-piperidin-4-yl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-(2-ethyl-6-fluorobenzoyl)-N-piperidin-4-yl-1H-pyrrole-2-carboxamide is CCc1cccc(F)c1C(=O)c1c[nH]c(C(=O)NC2CCNCC2)c1.
What is the InChIKey of 4-(2-ethyl-6-fluorobenzoyl)-N-piperidin-4-yl-1H-pyrrole-2-carboxamide?
The InChIKey is FVHRGXAETSISKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-2-12-4-3-5-15(20)17(12)18(24)13-10-16(22-11-13)19(25)23-14-6-8-21-9-7-14/h3-5,10-11,14,21-22H,2,6-9H2,1H3,(H,23,25).
What are the key properties of 4-(2-ethyl-6-fluorobenzoyl)-N-piperidin-4-yl-1H-pyrrole-2-carboxamide?
4-(2-ethyl-6-fluorobenzoyl)-N-piperidin-4-yl-1H-pyrrole-2-carboxamide has a molecular weight of 343.40 g/mol, XLogP of 2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-6-fluorobenzoyl)-N-piperidin-4-yl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 118959101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).