methyl 2-[[1-(4-fluorobenzoyl)piperidine-4-carbonyl]-propan-2-ylamino]acetate

C19H25FN2O4 — CID 78877755

IUPACmethyl 2-[[1-(4-fluorobenzoyl)piperidine-4-carbonyl]-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)C(C)C
InChIInChI=1S/C19H25FN2O4/c1-13(2)22(12-17(23)26-3)19(25)15-8-10-21(11-9-15)18(24)14-4-6-16(20)7-5-14/h4-7,13,15H,8-12H2,1-3H3
InChIKeyFVCHJSRTECNJQD-UHFFFAOYSA-N
MW364.42 g/mol
LogP2.09
Rot. Bonds5

About methyl 2-[[1-(4-fluorobenzoyl)piperidine-4-carbonyl]-propan-2-ylamino]acetate

methyl 2-[[1-(4-fluorobenzoyl)piperidine-4-carbonyl]-propan-2-ylamino]acetate (PubChem CID 78877755) has the molecular formula C19H25FN2O4 and a molecular weight of 364.42 g/mol. Its IUPAC name is methyl 2-[[1-(4-fluorobenzoyl)piperidine-4-carbonyl]-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[1-(4-fluorobenzoyl)piperidine-4-carbonyl]-propan-2-ylamino]acetate
PubChem CID78877755
Molecular FormulaC19H25FN2O4
Molecular Weight364.42 g/mol
Exact Mass364.18
IUPAC Namemethyl 2-[[1-(4-fluorobenzoyl)piperidine-4-carbonyl]-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)C(C)C
InChIInChI=1S/C19H25FN2O4/c1-13(2)22(12-17(23)26-3)19(25)15-8-10-21(11-9-15)18(24)14-4-6-16(20)7-5-14/h4-7,13,15H,8-12H2,1-3H3
InChIKeyFVCHJSRTECNJQD-UHFFFAOYSA-N
XLogP2.09
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]-propan-2-ylamino]acetate
CID 78885489
1-(4-fluorobenzoyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)piperidine-4-carboxamide
CID 55587634
methyl 2-[cyclopentanecarbonyl(propan-2-yl)amino]acetate
CID 55028562
1-(4-fluorobenzoyl)-N,N-dipropylpiperidine-4-carboxamide
CID 17223883
methyl 2-[piperidine-4-carbonyl(propan-2-yl)amino]acetate
CID 54871718
methyl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetate
CID 60732940
N-cyclopentyl-1-(4-fluorobenzoyl)-N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 78853830
N-[2-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]anilino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide
CID 42676178
4-methylpentyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 91712006
[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 55309412
N-[[4-(difluoromethoxy)phenyl]methyl]-1-(4-fluorobenzoyl)-N-methylpiperidine-4-carboxamide
CID 31238759
1-(4-fluorobenzoyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 17223875

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(4-fluorobenzoyl)piperidine-4-carbonyl]-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[[1-(4-fluorobenzoyl)piperidine-4-carbonyl]-propan-2-ylamino]acetate (CID 78877755) is methyl 2-[[1-(4-fluorobenzoyl)piperidine-4-carbonyl]-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[[1-(4-fluorobenzoyl)piperidine-4-carbonyl]-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[[1-(4-fluorobenzoyl)piperidine-4-carbonyl]-propan-2-ylamino]acetate is COC(=O)CN(C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)C(C)C.
What is the InChIKey of methyl 2-[[1-(4-fluorobenzoyl)piperidine-4-carbonyl]-propan-2-ylamino]acetate?
The InChIKey is FVCHJSRTECNJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O4/c1-13(2)22(12-17(23)26-3)19(25)15-8-10-21(11-9-15)18(24)14-4-6-16(20)7-5-14/h4-7,13,15H,8-12H2,1-3H3.
What are the key properties of methyl 2-[[1-(4-fluorobenzoyl)piperidine-4-carbonyl]-propan-2-ylamino]acetate?
methyl 2-[[1-(4-fluorobenzoyl)piperidine-4-carbonyl]-propan-2-ylamino]acetate has a molecular weight of 364.42 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(4-fluorobenzoyl)piperidine-4-carbonyl]-propan-2-ylamino]acetate is sourced from PubChem (CID 78877755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).