propan-2-yl 4-[2-[(4-fluorobenzoyl)amino]-2-(6-methoxy-3-pyridinyl)ethyl]piperidine-1-carboxylate

C24H30FN3O4 — CID 137373285

IUPACpropan-2-yl 4-[2-[(4-fluorobenzoyl)amino]-2-(6-methoxy-3-pyridinyl)ethyl]piperidine-1-carboxylate
SMILESCOc1ccc(C(CC2CCN(C(=O)OC(C)C)CC2)NC(=O)c2ccc(F)cc2)cn1
InChIInChI=1S/C24H30FN3O4/c1-16(2)32-24(30)28-12-10-17(11-13-28)14-21(19-6-9-22(31-3)26-15-19)27-23(29)18-4-7-20(25)8-5-18/h4-9,15-17,21H,10-14H2,1-3H3,(H,27,29)
InChIKeyZKXIHLDFCGOFLS-UHFFFAOYSA-N
MW443.52 g/mol
LogP4.35
Rot. Bonds7

About propan-2-yl 4-[2-[(4-fluorobenzoyl)amino]-2-(6-methoxy-3-pyridinyl)ethyl]piperidine-1-carboxylate

propan-2-yl 4-[2-[(4-fluorobenzoyl)amino]-2-(6-methoxy-3-pyridinyl)ethyl]piperidine-1-carboxylate (PubChem CID 137373285) has the molecular formula C24H30FN3O4 and a molecular weight of 443.52 g/mol. Its IUPAC name is propan-2-yl 4-[2-[(4-fluorobenzoyl)amino]-2-(6-methoxy-3-pyridinyl)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[2-[(4-fluorobenzoyl)amino]-2-(6-methoxy-3-pyridinyl)ethyl]piperidine-1-carboxylate
PubChem CID137373285
Molecular FormulaC24H30FN3O4
Molecular Weight443.52 g/mol
Exact Mass443.22
IUPAC Namepropan-2-yl 4-[2-[(4-fluorobenzoyl)amino]-2-(6-methoxy-3-pyridinyl)ethyl]piperidine-1-carboxylate
SMILESCOc1ccc(C(CC2CCN(C(=O)OC(C)C)CC2)NC(=O)c2ccc(F)cc2)cn1
InChIInChI=1S/C24H30FN3O4/c1-16(2)32-24(30)28-12-10-17(11-13-28)14-21(19-6-9-22(31-3)26-15-19)27-23(29)18-4-7-20(25)8-5-18/h4-9,15-17,21H,10-14H2,1-3H3,(H,27,29)
InChIKeyZKXIHLDFCGOFLS-UHFFFAOYSA-N
XLogP4.35
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.52
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze propan-2-yl 4-[2-[(4-fluorobenzoyl)amino]-2-(6-methoxy-3-pyridinyl)ethyl]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[(2S)-2-[(5-fluorothiophene-2-carbonyl)amino]-2-(6-methoxy-3-pyridinyl)ethyl]piperidine-1-carboxylate
CID 142509410
4-[2-[(5-chlorothiophene-2-carbonyl)amino]-2-(6-methoxy-3-pyridinyl)ethyl]piperidine-1-carboxylic acid
CID 137373249
4-[(2S)-2-[(5-chlorothiophene-2-carbonyl)amino]-2-(6-methoxy-3-pyridinyl)ethyl]piperidine-1-carboxylic acid
CID 137373245
N-[1-(4-fluorophenyl)ethyl]-6-methoxypyridine-3-carboxamide
CID 134016008
(4-fluorophenyl) 4-[1-[(4-fluorobenzoyl)amino]-3-methylbutyl]piperidine-1-carboxylate
CID 137372796
ethyl 4-[(6-methoxypyridine-3-carbonyl)amino]piperidine-1-carboxylate
CID 31844781
2,2-dimethylpropyl 4-[2-[(4-chlorobenzoyl)amino]-2-phenylethyl]piperidine-1-carboxylate
CID 137373327
tert-butyl 4-[2-[(4-cyclopropylbenzoyl)amino]-2-phenylethyl]piperidine-1-carboxylate
CID 137373103
tert-butyl 4-[2-[(3-chloro-4-fluorobenzoyl)amino]-2-phenylethyl]piperidine-1-carboxylate
CID 137373137
tert-butyl 4-[2-[(3,4-dichlorobenzoyl)amino]-2-phenylethyl]piperidine-1-carboxylate
CID 137373331
[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 129367707
[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 170231670

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[2-[(4-fluorobenzoyl)amino]-2-(6-methoxy-3-pyridinyl)ethyl]piperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[2-[(4-fluorobenzoyl)amino]-2-(6-methoxy-3-pyridinyl)ethyl]piperidine-1-carboxylate (CID 137373285) is propan-2-yl 4-[2-[(4-fluorobenzoyl)amino]-2-(6-methoxy-3-pyridinyl)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[2-[(4-fluorobenzoyl)amino]-2-(6-methoxy-3-pyridinyl)ethyl]piperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[2-[(4-fluorobenzoyl)amino]-2-(6-methoxy-3-pyridinyl)ethyl]piperidine-1-carboxylate is COc1ccc(C(CC2CCN(C(=O)OC(C)C)CC2)NC(=O)c2ccc(F)cc2)cn1.
What is the InChIKey of propan-2-yl 4-[2-[(4-fluorobenzoyl)amino]-2-(6-methoxy-3-pyridinyl)ethyl]piperidine-1-carboxylate?
The InChIKey is ZKXIHLDFCGOFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O4/c1-16(2)32-24(30)28-12-10-17(11-13-28)14-21(19-6-9-22(31-3)26-15-19)27-23(29)18-4-7-20(25)8-5-18/h4-9,15-17,21H,10-14H2,1-3H3,(H,27,29).
What are the key properties of propan-2-yl 4-[2-[(4-fluorobenzoyl)amino]-2-(6-methoxy-3-pyridinyl)ethyl]piperidine-1-carboxylate?
propan-2-yl 4-[2-[(4-fluorobenzoyl)amino]-2-(6-methoxy-3-pyridinyl)ethyl]piperidine-1-carboxylate has a molecular weight of 443.52 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[2-[(4-fluorobenzoyl)amino]-2-(6-methoxy-3-pyridinyl)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 137373285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).