benzyl 3-(4-acetylpiperazine-1-carbonyl)piperidine-1-carboxylate

C20H27N3O4 — CID 110678504

IUPACbenzyl 3-(4-acetylpiperazine-1-carbonyl)piperidine-1-carboxylate
SMILESCC(=O)N1CCN(C(=O)C2CCCN(C(=O)OCc3ccccc3)C2)CC1
InChIInChI=1S/C20H27N3O4/c1-16(24)21-10-12-22(13-11-21)19(25)18-8-5-9-23(14-18)20(26)27-15-17-6-3-2-4-7-17/h2-4,6-7,18H,5,8-15H2,1H3
InChIKeyYBDNPPZVJIDPEA-UHFFFAOYSA-N
MW373.45 g/mol
LogP1.73
Rot. Bonds3

About benzyl 3-(4-acetylpiperazine-1-carbonyl)piperidine-1-carboxylate

benzyl 3-(4-acetylpiperazine-1-carbonyl)piperidine-1-carboxylate (PubChem CID 110678504) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is benzyl 3-(4-acetylpiperazine-1-carbonyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-(4-acetylpiperazine-1-carbonyl)piperidine-1-carboxylate
PubChem CID110678504
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Namebenzyl 3-(4-acetylpiperazine-1-carbonyl)piperidine-1-carboxylate
SMILESCC(=O)N1CCN(C(=O)C2CCCN(C(=O)OCc3ccccc3)C2)CC1
InChIInChI=1S/C20H27N3O4/c1-16(24)21-10-12-22(13-11-21)19(25)18-8-5-9-23(14-18)20(26)27-15-17-6-3-2-4-7-17/h2-4,6-7,18H,5,8-15H2,1H3
InChIKeyYBDNPPZVJIDPEA-UHFFFAOYSA-N
XLogP1.73
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 3-(4-ethylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 110678502
benzyl (3S)-3-acetylpiperidine-1-carboxylate
CID 86330253
benzyl 3-(2,6-dimethylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 110678516
tert-butyl 4-(1-phenylmethoxycarbonylpyrrolidine-3-carbonyl)-1,4-diazepane-1-carboxylate
CID 54491210
benzyl 3-methylpiperidine-1-carboxylate;ethane
CID 144599174
benzyl piperidine-1-carboxylate
CID 158057698
benzyl 3-azabicyclo[5.1.0]octane-3-carboxylate
CID 141040263
benzyl 3-(methylamino)piperidine-1-carboxylate
CID 45072221
benzyl 3-fluoro-4-hydroxyazocane-1-carboxylate
CID 122547417
benzyl (3S)-3-(acetyloxymethyl)piperidine-1-carboxylate
CID 10589659
4-(1-phenylmethoxycarbonylpiperidine-4-carbonyl)piperazine-1-carboxylic acid
CID 139534540
1-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 110686098

Frequently Asked Questions

What is the IUPAC name of benzyl 3-(4-acetylpiperazine-1-carbonyl)piperidine-1-carboxylate?
The IUPAC name of benzyl 3-(4-acetylpiperazine-1-carbonyl)piperidine-1-carboxylate (CID 110678504) is benzyl 3-(4-acetylpiperazine-1-carbonyl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 3-(4-acetylpiperazine-1-carbonyl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 3-(4-acetylpiperazine-1-carbonyl)piperidine-1-carboxylate is CC(=O)N1CCN(C(=O)C2CCCN(C(=O)OCc3ccccc3)C2)CC1.
What is the InChIKey of benzyl 3-(4-acetylpiperazine-1-carbonyl)piperidine-1-carboxylate?
The InChIKey is YBDNPPZVJIDPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-16(24)21-10-12-22(13-11-21)19(25)18-8-5-9-23(14-18)20(26)27-15-17-6-3-2-4-7-17/h2-4,6-7,18H,5,8-15H2,1H3.
What are the key properties of benzyl 3-(4-acetylpiperazine-1-carbonyl)piperidine-1-carboxylate?
benzyl 3-(4-acetylpiperazine-1-carbonyl)piperidine-1-carboxylate has a molecular weight of 373.45 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-(4-acetylpiperazine-1-carbonyl)piperidine-1-carboxylate is sourced from PubChem (CID 110678504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).