N-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)propanamide

C20H28F2N2O2 — CID 91906115

IUPACN-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)propanamide
SMILESCCC(=O)N(C1CCOCC1)C1CCN(Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C20H28F2N2O2/c1-2-20(25)24(18-7-11-26-12-8-18)17-5-9-23(10-6-17)14-15-13-16(21)3-4-19(15)22/h3-4,13,17-18H,2,5-12,14H2,1H3
InChIKeyZZYJVBCNZAWTGC-UHFFFAOYSA-N
MW366.45 g/mol
LogP3.35
Rot. Bonds5

About N-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)propanamide

N-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)propanamide (PubChem CID 91906115) has the molecular formula C20H28F2N2O2 and a molecular weight of 366.45 g/mol. Its IUPAC name is N-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)propanamide.

Molecular Properties

Compound NameN-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)propanamide
PubChem CID91906115
Molecular FormulaC20H28F2N2O2
Molecular Weight366.45 g/mol
Exact Mass366.21
IUPAC NameN-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)propanamide
SMILESCCC(=O)N(C1CCOCC1)C1CCN(Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C20H28F2N2O2/c1-2-20(25)24(18-7-11-26-12-8-18)17-5-9-23(10-6-17)14-15-13-16(21)3-4-19(15)22/h3-4,13,17-18H,2,5-12,14H2,1H3
InChIKeyZZYJVBCNZAWTGC-UHFFFAOYSA-N
XLogP3.35
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 164851900
N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 164851914
N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
CID 164851917
2-[1-(4-fluorobenzyl)-3-oxopiperazin-2-yl]-N-methyl-N-(tetrahydro-2H-pyran-4-yl)acetamide
CID 16190619
N-(1-Benzyl-4-piperidyl)-N-benzylpropanamide
CID 14129733
N-[(2-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 164851890
N-[(3-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 164851896
N-[(4-fluorophenyl)methyl]-2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 164851908
N-[(3-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
CID 164851918
Ethyl 4-[4-(3,4-difluorobenzyl)-3-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxylate
CID 16192269
N-cyclohexyl-1-(3-fluorobenzyl)-6-keto-N-methyl-nipecotamide
CID 24817398
1-[4-[Cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2,2-dimethylbutan-1-one
CID 91919185

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)propanamide?
The IUPAC name of N-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)propanamide (CID 91906115) is N-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)propanamide.
What is the SMILES notation for N-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)propanamide?
The canonical SMILES for N-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)propanamide is CCC(=O)N(C1CCOCC1)C1CCN(Cc2cc(F)ccc2F)CC1.
What is the InChIKey of N-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)propanamide?
The InChIKey is ZZYJVBCNZAWTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F2N2O2/c1-2-20(25)24(18-7-11-26-12-8-18)17-5-9-23(10-6-17)14-15-13-16(21)3-4-19(15)22/h3-4,13,17-18H,2,5-12,14H2,1H3.
What are the key properties of N-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)propanamide?
N-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)propanamide has a molecular weight of 366.45 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)propanamide is sourced from PubChem (CID 91906115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).