methyl 4-(4-phenylpiperazine-1-carbonyl)piperidine-1-carboxylate

C18H25N3O3 — CID 110754124

IUPACmethyl 4-(4-phenylpiperazine-1-carbonyl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C18H25N3O3/c1-24-18(23)21-9-7-15(8-10-21)17(22)20-13-11-19(12-14-20)16-5-3-2-4-6-16/h2-6,15H,7-14H2,1H3
InChIKeyUYGZBGGUXYAFDY-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.81
Rot. Bonds2

About methyl 4-(4-phenylpiperazine-1-carbonyl)piperidine-1-carboxylate

methyl 4-(4-phenylpiperazine-1-carbonyl)piperidine-1-carboxylate (PubChem CID 110754124) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is methyl 4-(4-phenylpiperazine-1-carbonyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-phenylpiperazine-1-carbonyl)piperidine-1-carboxylate
PubChem CID110754124
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Namemethyl 4-(4-phenylpiperazine-1-carbonyl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C18H25N3O3/c1-24-18(23)21-9-7-15(8-10-21)17(22)20-13-11-19(12-14-20)16-5-3-2-4-6-16/h2-6,15H,7-14H2,1H3
InChIKeyUYGZBGGUXYAFDY-UHFFFAOYSA-N
XLogP1.81
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;(1-methylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 171069680
methyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 110754151
oxan-4-yl-(4-phenylpiperazin-1-yl)methanone
CID 78802039
[4-(4-fluorophenyl)piperazin-1-yl]-(1-phenylpiperidin-4-yl)methanone
CID 17152277
2-phenyl-1-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 1331173
methyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate
CID 60700298
methyl 4-[(1R,3S,4S)-3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]oxypiperidine-1-carboxylate
CID 87348641
1-(cyclopropanecarbonyl)-N-(1-phenylpiperidin-4-yl)piperidine-4-carboxamide
CID 72921042
[1-(furan-3-carbonyl)piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 35503421
methyl 4-(cyclobutanecarbonyl)piperazine-1-carboxylate
CID 110818476
methyl 4-(1-acetylpiperidine-4-carbonyl)-1,4-diazepane-1-carboxylate
CID 110808697
2,3-dihydro-1H-inden-2-yl-(4-phenylpiperazin-1-yl)methanone
CID 112532321

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-phenylpiperazine-1-carbonyl)piperidine-1-carboxylate?
The IUPAC name of methyl 4-(4-phenylpiperazine-1-carbonyl)piperidine-1-carboxylate (CID 110754124) is methyl 4-(4-phenylpiperazine-1-carbonyl)piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-(4-phenylpiperazine-1-carbonyl)piperidine-1-carboxylate?
The canonical SMILES for methyl 4-(4-phenylpiperazine-1-carbonyl)piperidine-1-carboxylate is COC(=O)N1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1.
What is the InChIKey of methyl 4-(4-phenylpiperazine-1-carbonyl)piperidine-1-carboxylate?
The InChIKey is UYGZBGGUXYAFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-24-18(23)21-9-7-15(8-10-21)17(22)20-13-11-19(12-14-20)16-5-3-2-4-6-16/h2-6,15H,7-14H2,1H3.
What are the key properties of methyl 4-(4-phenylpiperazine-1-carbonyl)piperidine-1-carboxylate?
methyl 4-(4-phenylpiperazine-1-carbonyl)piperidine-1-carboxylate has a molecular weight of 331.42 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-phenylpiperazine-1-carbonyl)piperidine-1-carboxylate is sourced from PubChem (CID 110754124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).