N-[(2-fluorophenyl)methyl]-3-[1-(3-methoxypropanoyl)piperidin-3-yl]propanamide

C19H27FN2O3 — CID 45226167

IUPACN-[(2-fluorophenyl)methyl]-3-[1-(3-methoxypropanoyl)piperidin-3-yl]propanamide
SMILESCOCCC(=O)N1CCCC(CCC(=O)NCc2ccccc2F)C1
InChIInChI=1S/C19H27FN2O3/c1-25-12-10-19(24)22-11-4-5-15(14-22)8-9-18(23)21-13-16-6-2-3-7-17(16)20/h2-3,6-7,15H,4-5,8-14H2,1H3,(H,21,23)
InChIKeyMGEDFECAYHHGOX-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.50
Rot. Bonds8

About N-[(2-fluorophenyl)methyl]-3-[1-(3-methoxypropanoyl)piperidin-3-yl]propanamide

N-[(2-fluorophenyl)methyl]-3-[1-(3-methoxypropanoyl)piperidin-3-yl]propanamide (PubChem CID 45226167) has the molecular formula C19H27FN2O3 and a molecular weight of 350.43 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-[1-(3-methoxypropanoyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-[1-(3-methoxypropanoyl)piperidin-3-yl]propanamide
PubChem CID45226167
Molecular FormulaC19H27FN2O3
Molecular Weight350.43 g/mol
Exact Mass350.20
IUPAC NameN-[(2-fluorophenyl)methyl]-3-[1-(3-methoxypropanoyl)piperidin-3-yl]propanamide
SMILESCOCCC(=O)N1CCCC(CCC(=O)NCc2ccccc2F)C1
InChIInChI=1S/C19H27FN2O3/c1-25-12-10-19(24)22-11-4-5-15(14-22)8-9-18(23)21-13-16-6-2-3-7-17(16)20/h2-3,6-7,15H,4-5,8-14H2,1H3,(H,21,23)
InChIKeyMGEDFECAYHHGOX-UHFFFAOYSA-N
XLogP2.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 24236870
1-cyclopropyl-N-(2,3-difluorobenzyl)-6-oxo-3-piperidinecarboxamide
CID 24793923
tert-butyl 4-{[(4-fluorobenzoyl)amino]methyl}tetrahydro-1(2H)-pyridinecarboxylate
CID 2810466
(2E)-but-2-enedioic acid; N-[2-(1-benzylpiperidin-4-yl)ethyl]cyclohexanecarboxamide
CID 14783887
3-cyclohexyl-N-(4-fluorobenzyl)propanamide
CID 803650
Cambridge id 5260289
CID 2838041
1-[(diethylamino)sulfonyl]-N-(4-fluorobenzyl)piperidine-4-carboxamide
CID 3240785
1-{[butyl(ethyl)amino]sulfonyl}-N-(4-fluorobenzyl)piperidine-4-carboxamide
CID 3244656
4-N-[(4-fluorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 5123397
N-(3,4-difluorobenzyl)-3-[1-(3-methoxypropanoyl)piperidin-3-yl]propanamide
CID 16188105
N-(3,4-difluorobenzyl)-3-[1-(4,4,4-trifluorobutanoyl)piperidin-3-yl]propanamide
CID 16192302
Methyl 4-(4-{3-[(4-fluorobenzyl)amino]-3-oxopropyl}-1-piperidinyl)-4-oxobutanoate
CID 23723487

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-[1-(3-methoxypropanoyl)piperidin-3-yl]propanamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-[1-(3-methoxypropanoyl)piperidin-3-yl]propanamide (CID 45226167) is N-[(2-fluorophenyl)methyl]-3-[1-(3-methoxypropanoyl)piperidin-3-yl]propanamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-[1-(3-methoxypropanoyl)piperidin-3-yl]propanamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-[1-(3-methoxypropanoyl)piperidin-3-yl]propanamide is COCCC(=O)N1CCCC(CCC(=O)NCc2ccccc2F)C1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-[1-(3-methoxypropanoyl)piperidin-3-yl]propanamide?
The InChIKey is MGEDFECAYHHGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O3/c1-25-12-10-19(24)22-11-4-5-15(14-22)8-9-18(23)21-13-16-6-2-3-7-17(16)20/h2-3,6-7,15H,4-5,8-14H2,1H3,(H,21,23).
What are the key properties of N-[(2-fluorophenyl)methyl]-3-[1-(3-methoxypropanoyl)piperidin-3-yl]propanamide?
N-[(2-fluorophenyl)methyl]-3-[1-(3-methoxypropanoyl)piperidin-3-yl]propanamide has a molecular weight of 350.43 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3-[1-(3-methoxypropanoyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 45226167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).