[1-(4-phenylpiperazine-1-carbonyl)cyclohexyl] carbamate

C18H25N3O3 — CID 68903912

IUPAC[1-(4-phenylpiperazine-1-carbonyl)cyclohexyl] carbamate
SMILESNC(=O)OC1(C(=O)N2CCN(c3ccccc3)CC2)CCCCC1
InChIInChI=1S/C18H25N3O3/c19-17(23)24-18(9-5-2-6-10-18)16(22)21-13-11-20(12-14-21)15-7-3-1-4-8-15/h1,3-4,7-8H,2,5-6,9-14H2,(H2,19,23)
InChIKeyMZQBBSODNQVTKI-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.13
Rot. Bonds3

About [1-(4-phenylpiperazine-1-carbonyl)cyclohexyl] carbamate

[1-(4-phenylpiperazine-1-carbonyl)cyclohexyl] carbamate (PubChem CID 68903912) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is [1-(4-phenylpiperazine-1-carbonyl)cyclohexyl] carbamate.

Molecular Properties

Compound Name[1-(4-phenylpiperazine-1-carbonyl)cyclohexyl] carbamate
PubChem CID68903912
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name[1-(4-phenylpiperazine-1-carbonyl)cyclohexyl] carbamate
SMILESNC(=O)OC1(C(=O)N2CCN(c3ccccc3)CC2)CCCCC1
InChIInChI=1S/C18H25N3O3/c19-17(23)24-18(9-5-2-6-10-18)16(22)21-13-11-20(12-14-21)15-7-3-1-4-8-15/h1,3-4,7-8H,2,5-6,9-14H2,(H2,19,23)
InChIKeyMZQBBSODNQVTKI-UHFFFAOYSA-N
XLogP2.13
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-phenylcyclopentyl)-(4-phenylpiperazin-1-yl)methanone
CID 4048114
carbamic acid;1-phenylpiperidine
CID 161473217
1-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylethane-1,2-dione
CID 2200683
(4-phenylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 42390617
2,2,2-trichloroethyl 4-phenylpiperazine-1-carboxylate
CID 101452211
2-(1-hydroxycyclopentyl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 111430178
bis[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanone
CID 86192907
2-cyclohexyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 806694
phenyl 4-phenyl-1,4-diazepane-1-carboxylate
CID 110873802
2-[4-(4-phenylpiperazine-1-carbonyl)phenoxy]acetamide
CID 27671794
2-methyl-N-[4-[1-(4-phenylpiperazine-1-carbonyl)cyclohexyl]phenyl]propanamide
CID 53110438
cyclohexyl-[4-phenyl-4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]methanone
CID 22241011

Frequently Asked Questions

What is the IUPAC name of [1-(4-phenylpiperazine-1-carbonyl)cyclohexyl] carbamate?
The IUPAC name of [1-(4-phenylpiperazine-1-carbonyl)cyclohexyl] carbamate (CID 68903912) is [1-(4-phenylpiperazine-1-carbonyl)cyclohexyl] carbamate.
What is the SMILES notation for [1-(4-phenylpiperazine-1-carbonyl)cyclohexyl] carbamate?
The canonical SMILES for [1-(4-phenylpiperazine-1-carbonyl)cyclohexyl] carbamate is NC(=O)OC1(C(=O)N2CCN(c3ccccc3)CC2)CCCCC1.
What is the InChIKey of [1-(4-phenylpiperazine-1-carbonyl)cyclohexyl] carbamate?
The InChIKey is MZQBBSODNQVTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c19-17(23)24-18(9-5-2-6-10-18)16(22)21-13-11-20(12-14-21)15-7-3-1-4-8-15/h1,3-4,7-8H,2,5-6,9-14H2,(H2,19,23).
What are the key properties of [1-(4-phenylpiperazine-1-carbonyl)cyclohexyl] carbamate?
[1-(4-phenylpiperazine-1-carbonyl)cyclohexyl] carbamate has a molecular weight of 331.42 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-phenylpiperazine-1-carbonyl)cyclohexyl] carbamate is sourced from PubChem (CID 68903912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).