benzyl 4-(piperazine-1-carbonyl)cyclohexane-1-carboxylate

C19H26N2O3 — CID 66773233

IUPACbenzyl 4-(piperazine-1-carbonyl)cyclohexane-1-carboxylate
SMILESO=C(OCc1ccccc1)C1CCC(C(=O)N2CCNCC2)CC1
InChIInChI=1S/C19H26N2O3/c22-18(21-12-10-20-11-13-21)16-6-8-17(9-7-16)19(23)24-14-15-4-2-1-3-5-15/h1-5,16-17,20H,6-14H2
InChIKeyBOYBTBKKHLEPFD-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.97
Rot. Bonds4

About benzyl 4-(piperazine-1-carbonyl)cyclohexane-1-carboxylate

benzyl 4-(piperazine-1-carbonyl)cyclohexane-1-carboxylate (PubChem CID 66773233) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is benzyl 4-(piperazine-1-carbonyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(piperazine-1-carbonyl)cyclohexane-1-carboxylate
PubChem CID66773233
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Namebenzyl 4-(piperazine-1-carbonyl)cyclohexane-1-carboxylate
SMILESO=C(OCc1ccccc1)C1CCC(C(=O)N2CCNCC2)CC1
InChIInChI=1S/C19H26N2O3/c22-18(21-12-10-20-11-13-21)16-6-8-17(9-7-16)19(23)24-14-15-4-2-1-3-5-15/h1-5,16-17,20H,6-14H2
InChIKeyBOYBTBKKHLEPFD-UHFFFAOYSA-N
XLogP1.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl piperidine-4-carboxylate;ethanol
CID 158740080
benzyl 1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 11154253
benzyl 1-propanoylpiperidine-4-carboxylate
CID 59047382
benzyl (2R)-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxylate
CID 93481134
dibenzyl cyclopentane-1,3-dicarboxylate
CID 90178451
cyclopropyl-(4-phenylmethoxypiperazin-1-yl)methanone
CID 118075267
(4-phenylcyclohexyl)-piperazin-1-ylmethanone
CID 119401928
4-(1-phenylmethoxycarbonylpiperidine-4-carbonyl)piperazine-1-carboxylic acid
CID 139534540
benzyl 4-methoxycyclohexane-1-carboxylate
CID 118262723
benzyl 1-cyanopiperidine-4-carboxylate
CID 156541326
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenylethanone
CID 875936
(1-benzylpiperidin-3-yl)-piperazin-1-ylmethanone
CID 119915515

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(piperazine-1-carbonyl)cyclohexane-1-carboxylate?
The IUPAC name of benzyl 4-(piperazine-1-carbonyl)cyclohexane-1-carboxylate (CID 66773233) is benzyl 4-(piperazine-1-carbonyl)cyclohexane-1-carboxylate.
What is the SMILES notation for benzyl 4-(piperazine-1-carbonyl)cyclohexane-1-carboxylate?
The canonical SMILES for benzyl 4-(piperazine-1-carbonyl)cyclohexane-1-carboxylate is O=C(OCc1ccccc1)C1CCC(C(=O)N2CCNCC2)CC1.
What is the InChIKey of benzyl 4-(piperazine-1-carbonyl)cyclohexane-1-carboxylate?
The InChIKey is BOYBTBKKHLEPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c22-18(21-12-10-20-11-13-21)16-6-8-17(9-7-16)19(23)24-14-15-4-2-1-3-5-15/h1-5,16-17,20H,6-14H2.
What are the key properties of benzyl 4-(piperazine-1-carbonyl)cyclohexane-1-carboxylate?
benzyl 4-(piperazine-1-carbonyl)cyclohexane-1-carboxylate has a molecular weight of 330.43 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(piperazine-1-carbonyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 66773233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).