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

C22H29N3O2 — CID 33108267

IUPACN-[1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperidin-4-yl]benzamide
SMILESCCn1c(C)cc(C(=O)CN2CCC(NC(=O)c3ccccc3)CC2)c1C
InChIInChI=1S/C22H29N3O2/c1-4-25-16(2)14-20(17(25)3)21(26)15-24-12-10-19(11-13-24)23-22(27)18-8-6-5-7-9-18/h5-9,14,19H,4,10-13,15H2,1-3H3,(H,23,27)
InChIKeyUWAKJEUTVZMRQP-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.20
Rot. Bonds6

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

N-[1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperidin-4-yl]benzamide (PubChem CID 33108267) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperidin-4-yl]benzamide
PubChem CID33108267
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-[1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperidin-4-yl]benzamide
SMILESCCn1c(C)cc(C(=O)CN2CCC(NC(=O)c3ccccc3)CC2)c1C
InChIInChI=1S/C22H29N3O2/c1-4-25-16(2)14-20(17(25)3)21(26)15-24-12-10-19(11-13-24)23-22(27)18-8-6-5-7-9-18/h5-9,14,19H,4,10-13,15H2,1-3H3,(H,23,27)
InChIKeyUWAKJEUTVZMRQP-UHFFFAOYSA-N
XLogP3.20
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperidin-4-yl]benzamide
CID 16580800
N-[2,5-dimethyl-3-[2-[4-(propan-2-ylamino)piperidin-1-yl]acetyl]pyrrol-1-yl]benzamide
CID 56569898
tert-butyl N-[1-[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]piperidin-4-yl]carbamate
CID 56524857
2-(4-benzylsulfonylpiperazin-1-yl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 8694219
N-[1-[(3-ethyl-2-sulfanylidenebenzimidazol-1-yl)methyl]piperidin-4-yl]benzamide
CID 26000412
N-[(1-phenacylpiperidin-4-yl)carbamoyl]benzamide
CID 12608588
2-(4-benzoylpiperidin-1-yl)-1-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]ethanone
CID 33214933
N-(1-ethylpiperidin-4-yl)-3,4-dimethylbenzamide
CID 17249701
1-benzyl-2,5-dimethyl-N-(1-methylpiperidin-4-yl)pyrrole-3-carboxamide
CID 78809512
N-[1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidin-4-yl]benzamide
CID 18131571
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperidin-4-yl]benzamide (CID 33108267) is N-[1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperidin-4-yl]benzamide is CCn1c(C)cc(C(=O)CN2CCC(NC(=O)c3ccccc3)CC2)c1C.
What is the InChIKey of N-[1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperidin-4-yl]benzamide?
The InChIKey is UWAKJEUTVZMRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-4-25-16(2)14-20(17(25)3)21(26)15-24-12-10-19(11-13-24)23-22(27)18-8-6-5-7-9-18/h5-9,14,19H,4,10-13,15H2,1-3H3,(H,23,27).
What are the key properties of N-[1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperidin-4-yl]benzamide?
N-[1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperidin-4-yl]benzamide has a molecular weight of 367.49 g/mol, XLogP of 3.20, 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-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 33108267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).