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

C20H29N3O3 — CID 110678502

IUPACbenzyl 3-(4-ethylpiperazine-1-carbonyl)piperidine-1-carboxylate
SMILESCCN1CCN(C(=O)C2CCCN(C(=O)OCc3ccccc3)C2)CC1
InChIInChI=1S/C20H29N3O3/c1-2-21-11-13-22(14-12-21)19(24)18-9-6-10-23(15-18)20(25)26-16-17-7-4-3-5-8-17/h3-5,7-8,18H,2,6,9-16H2,1H3
InChIKeyFZTNUIHTAYNREG-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.20
Rot. Bonds4

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

benzyl 3-(4-ethylpiperazine-1-carbonyl)piperidine-1-carboxylate (PubChem CID 110678502) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is benzyl 3-(4-ethylpiperazine-1-carbonyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-(4-ethylpiperazine-1-carbonyl)piperidine-1-carboxylate
PubChem CID110678502
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Namebenzyl 3-(4-ethylpiperazine-1-carbonyl)piperidine-1-carboxylate
SMILESCCN1CCN(C(=O)C2CCCN(C(=O)OCc3ccccc3)C2)CC1
InChIInChI=1S/C20H29N3O3/c1-2-21-11-13-22(14-12-21)19(24)18-9-6-10-23(15-18)20(25)26-16-17-7-4-3-5-8-17/h3-5,7-8,18H,2,6,9-16H2,1H3
InChIKeyFZTNUIHTAYNREG-UHFFFAOYSA-N
XLogP2.20
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 3-(4-acetylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 110678504
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-fluoro-4-hydroxyazocane-1-carboxylate
CID 122547417
benzyl 3-(methylamino)piperidine-1-carboxylate
CID 45072221
benzyl (3R)-3-[(2-amino-3-ethoxy-3-oxopropyl)carbamoyl]piperidine-1-carboxylate
CID 67778403
4-(1-phenylmethoxycarbonylpiperidine-4-carbonyl)piperazine-1-carboxylic acid
CID 139534540
benzyl (3R)-4-amino-3-hydroxyazepane-1-carboxylate
CID 67555799
benzyl (3R,4R)-4-fluoro-3-hydroxyazepane-1-carboxylate
CID 118230294

Frequently Asked Questions

What is the IUPAC name of benzyl 3-(4-ethylpiperazine-1-carbonyl)piperidine-1-carboxylate?
The IUPAC name of benzyl 3-(4-ethylpiperazine-1-carbonyl)piperidine-1-carboxylate (CID 110678502) is benzyl 3-(4-ethylpiperazine-1-carbonyl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 3-(4-ethylpiperazine-1-carbonyl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 3-(4-ethylpiperazine-1-carbonyl)piperidine-1-carboxylate is CCN1CCN(C(=O)C2CCCN(C(=O)OCc3ccccc3)C2)CC1.
What is the InChIKey of benzyl 3-(4-ethylpiperazine-1-carbonyl)piperidine-1-carboxylate?
The InChIKey is FZTNUIHTAYNREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-2-21-11-13-22(14-12-21)19(24)18-9-6-10-23(15-18)20(25)26-16-17-7-4-3-5-8-17/h3-5,7-8,18H,2,6,9-16H2,1H3.
What are the key properties of benzyl 3-(4-ethylpiperazine-1-carbonyl)piperidine-1-carboxylate?
benzyl 3-(4-ethylpiperazine-1-carbonyl)piperidine-1-carboxylate has a molecular weight of 359.47 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-(4-ethylpiperazine-1-carbonyl)piperidine-1-carboxylate is sourced from PubChem (CID 110678502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).