N-[(2,5-difluorophenyl)methyl]-3-piperidin-2-ylpropanamide

C15H20F2N2O — CID 63794479

IUPACN-[(2,5-difluorophenyl)methyl]-3-piperidin-2-ylpropanamide
SMILESO=C(CCC1CCCCN1)NCc1cc(F)ccc1F
InChIInChI=1S/C15H20F2N2O/c16-12-4-6-14(17)11(9-12)10-19-15(20)7-5-13-3-1-2-8-18-13/h4,6,9,13,18H,1-3,5,7-8,10H2,(H,19,20)
InChIKeyPHNBXGJCQKGNGD-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.50
Rot. Bonds5

About N-[(2,5-difluorophenyl)methyl]-3-piperidin-2-ylpropanamide

N-[(2,5-difluorophenyl)methyl]-3-piperidin-2-ylpropanamide (PubChem CID 63794479) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-3-piperidin-2-ylpropanamide.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-3-piperidin-2-ylpropanamide
PubChem CID63794479
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC NameN-[(2,5-difluorophenyl)methyl]-3-piperidin-2-ylpropanamide
SMILESO=C(CCC1CCCCN1)NCc1cc(F)ccc1F
InChIInChI=1S/C15H20F2N2O/c16-12-4-6-14(17)11(9-12)10-19-15(20)7-5-13-3-1-2-8-18-13/h4,6,9,13,18H,1-3,5,7-8,10H2,(H,19,20)
InChIKeyPHNBXGJCQKGNGD-UHFFFAOYSA-N
XLogP2.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,5-difluorophenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119513358
N-[(2,5-difluorophenyl)methyl]piperidine-2-carboxamide
CID 63795889
N-[(4-hydroxyphenyl)methyl]-3-piperidin-2-ylpropanamide
CID 114332165
3-piperidin-2-yl-N-(3,4,5-trifluorophenyl)propanamide
CID 62813870
2-(cyclopentylamino)-N-[(2,5-difluorophenyl)methyl]acetamide
CID 63793411
2-(4-fluorophenyl)-N-(2-piperidin-2-ylethyl)acetamide
CID 24704522
N-(4-bromo-2,6-difluorophenyl)-3-piperidin-2-ylpropanamide
CID 65469168
N-(3-fluoro-4-methylphenyl)-3-piperidin-2-ylpropanamide
CID 62212237
3-piperidin-2-yl-N-(pyridin-3-ylmethyl)propanamide
CID 62209973
(2,5-difluorophenyl)methylcarbamic acid
CID 21076562
N-(4-bromo-2,5-difluorophenyl)-3-piperidin-2-ylpropanamide
CID 107611652
1-(azepan-2-ylmethyl)-3-(2,5-difluorophenyl)urea;hydrochloride
CID 154900952

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-3-piperidin-2-ylpropanamide?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-3-piperidin-2-ylpropanamide (CID 63794479) is N-[(2,5-difluorophenyl)methyl]-3-piperidin-2-ylpropanamide.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-3-piperidin-2-ylpropanamide?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-3-piperidin-2-ylpropanamide is O=C(CCC1CCCCN1)NCc1cc(F)ccc1F.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-3-piperidin-2-ylpropanamide?
The InChIKey is PHNBXGJCQKGNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c16-12-4-6-14(17)11(9-12)10-19-15(20)7-5-13-3-1-2-8-18-13/h4,6,9,13,18H,1-3,5,7-8,10H2,(H,19,20).
What are the key properties of N-[(2,5-difluorophenyl)methyl]-3-piperidin-2-ylpropanamide?
N-[(2,5-difluorophenyl)methyl]-3-piperidin-2-ylpropanamide has a molecular weight of 282.33 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-3-piperidin-2-ylpropanamide is sourced from PubChem (CID 63794479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).