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

C20H22FN3O2 — CID 134610507

IUPAC4-(2-cyclopropyl-6-fluorobenzoyl)-N-piperidin-4-yl-1H-pyrrole-2-carboxamide
SMILESO=C(NC1CCNCC1)c1cc(C(=O)c2c(F)cccc2C2CC2)c[nH]1
InChIInChI=1S/C20H22FN3O2/c21-16-3-1-2-15(12-4-5-12)18(16)19(25)13-10-17(23-11-13)20(26)24-14-6-8-22-9-7-14/h1-3,10-12,14,22-23H,4-9H2,(H,24,26)
InChIKeyNKANCBBHMTXIPU-UHFFFAOYSA-N
MW355.41 g/mol
LogP2.74
Rot. Bonds5

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

4-(2-cyclopropyl-6-fluorobenzoyl)-N-piperidin-4-yl-1H-pyrrole-2-carboxamide (PubChem CID 134610507) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is 4-(2-cyclopropyl-6-fluorobenzoyl)-N-piperidin-4-yl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(2-cyclopropyl-6-fluorobenzoyl)-N-piperidin-4-yl-1H-pyrrole-2-carboxamide
PubChem CID134610507
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name4-(2-cyclopropyl-6-fluorobenzoyl)-N-piperidin-4-yl-1H-pyrrole-2-carboxamide
SMILESO=C(NC1CCNCC1)c1cc(C(=O)c2c(F)cccc2C2CC2)c[nH]1
InChIInChI=1S/C20H22FN3O2/c21-16-3-1-2-15(12-4-5-12)18(16)19(25)13-10-17(23-11-13)20(26)24-14-6-8-22-9-7-14/h1-3,10-12,14,22-23H,4-9H2,(H,24,26)
InChIKeyNKANCBBHMTXIPU-UHFFFAOYSA-N
XLogP2.74
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-ethyl-6-fluorobenzoyl)-N-piperidin-4-yl-1H-pyrrole-2-carboxamide
CID 118959101
4-[2-fluoro-6-(trifluoromethyl)benzoyl]-N-piperidin-4-yl-1H-pyrrole-2-carboxamide
CID 134610620
2,6-difluoro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119385702
N-(1-acetylpiperidin-4-yl)-4-(2-chloro-6-fluorobenzoyl)-1H-pyrrole-2-carboxamide
CID 118958964
2,6-difluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689143
N-cyclopropyl-4-fluoro-3-piperidin-4-ylbenzamide;hydrochloride
CID 169452700
4-acetyl-N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-1H-pyrrole-2-carboxamide
CID 25402071
N-(azepan-4-yl)-2-fluoro-6-methoxybenzamide
CID 105059143
N-(azepan-4-yl)-4-chloro-1H-pyrrole-2-carboxamide
CID 105060146
2-chloro-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119388266
N-cyclohexyl-2-fluoro-3-piperidin-4-ylbenzamide
CID 166001097
4-cyclopropyl-N-(4-hydroxycyclohexyl)-1H-indole-2-carboxamide
CID 167748241

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropyl-6-fluorobenzoyl)-N-piperidin-4-yl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-(2-cyclopropyl-6-fluorobenzoyl)-N-piperidin-4-yl-1H-pyrrole-2-carboxamide (CID 134610507) is 4-(2-cyclopropyl-6-fluorobenzoyl)-N-piperidin-4-yl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-(2-cyclopropyl-6-fluorobenzoyl)-N-piperidin-4-yl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-(2-cyclopropyl-6-fluorobenzoyl)-N-piperidin-4-yl-1H-pyrrole-2-carboxamide is O=C(NC1CCNCC1)c1cc(C(=O)c2c(F)cccc2C2CC2)c[nH]1.
What is the InChIKey of 4-(2-cyclopropyl-6-fluorobenzoyl)-N-piperidin-4-yl-1H-pyrrole-2-carboxamide?
The InChIKey is NKANCBBHMTXIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c21-16-3-1-2-15(12-4-5-12)18(16)19(25)13-10-17(23-11-13)20(26)24-14-6-8-22-9-7-14/h1-3,10-12,14,22-23H,4-9H2,(H,24,26).
What are the key properties of 4-(2-cyclopropyl-6-fluorobenzoyl)-N-piperidin-4-yl-1H-pyrrole-2-carboxamide?
4-(2-cyclopropyl-6-fluorobenzoyl)-N-piperidin-4-yl-1H-pyrrole-2-carboxamide has a molecular weight of 355.41 g/mol, XLogP of 2.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropyl-6-fluorobenzoyl)-N-piperidin-4-yl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 134610507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).