N-[1-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperidin-4-yl]benzamide

C23H29N3O2 — CID 16580800

IUPACN-[1-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperidin-4-yl]benzamide
SMILESCc1cc(C(=O)CN2CCC(NC(=O)c3ccccc3)CC2)c(C)n1C1CC1
InChIInChI=1S/C23H29N3O2/c1-16-14-21(17(2)26(16)20-8-9-20)22(27)15-25-12-10-19(11-13-25)24-23(28)18-6-4-3-5-7-18/h3-7,14,19-20H,8-13,15H2,1-2H3,(H,24,28)
InChIKeyKGOQDSAAWNEMGV-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.52
Rot. Bonds6

About N-[1-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperidin-4-yl]benzamide

N-[1-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperidin-4-yl]benzamide (PubChem CID 16580800) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[1-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperidin-4-yl]benzamide
PubChem CID16580800
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[1-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperidin-4-yl]benzamide
SMILESCc1cc(C(=O)CN2CCC(NC(=O)c3ccccc3)CC2)c(C)n1C1CC1
InChIInChI=1S/C23H29N3O2/c1-16-14-21(17(2)26(16)20-8-9-20)22(27)15-25-12-10-19(11-13-25)24-23(28)18-6-4-3-5-7-18/h3-7,14,19-20H,8-13,15H2,1-2H3,(H,24,28)
InChIKeyKGOQDSAAWNEMGV-UHFFFAOYSA-N
XLogP3.52
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperidin-4-yl]benzamide
CID 33108267
2-(4-benzoylpiperazin-1-yl)-1-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 110659197
1-[4-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperazin-1-yl]-2-phenylethanone
CID 110659082
N-[2,5-dimethyl-3-[2-[4-(propan-2-ylamino)piperidin-1-yl]acetyl]pyrrol-1-yl]benzamide
CID 56569898
benzyl 4-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperazine-1-carboxylate
CID 110659115
[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-benzamidoacetate
CID 7783390
1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 8595088
2-[4-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 8804813
N-[(1-phenacylpiperidin-4-yl)carbamoyl]benzamide
CID 12608588
N-[1-[2-[(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]benzamide
CID 16596813
N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]benzamide
CID 33106364
4-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide
CID 110659099

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperidin-4-yl]benzamide (CID 16580800) is N-[1-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperidin-4-yl]benzamide is Cc1cc(C(=O)CN2CCC(NC(=O)c3ccccc3)CC2)c(C)n1C1CC1.
What is the InChIKey of N-[1-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperidin-4-yl]benzamide?
The InChIKey is KGOQDSAAWNEMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-16-14-21(17(2)26(16)20-8-9-20)22(27)15-25-12-10-19(11-13-25)24-23(28)18-6-4-3-5-7-18/h3-7,14,19-20H,8-13,15H2,1-2H3,(H,24,28).
What are the key properties of N-[1-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperidin-4-yl]benzamide?
N-[1-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperidin-4-yl]benzamide has a molecular weight of 379.50 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 16580800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).