3-amino-N-[[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride

C16H24ClF2N3O — CID 120581300

IUPAC3-amino-N-[[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCC1CCCCN1Cc1cc(F)ccc1F
InChIInChI=1S/C16H23F2N3O.ClH/c17-13-4-5-15(18)12(9-13)11-21-8-2-1-3-14(21)10-20-16(22)6-7-19;/h4-5,9,14H,1-3,6-8,10-11,19H2,(H,20,22);1H
InChIKeySILIBSAKRHXMOL-UHFFFAOYSA-N
MW347.84 g/mol
LogP2.21
Rot. Bonds6

About 3-amino-N-[[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride

3-amino-N-[[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride (PubChem CID 120581300) has the molecular formula C16H24ClF2N3O and a molecular weight of 347.84 g/mol. Its IUPAC name is 3-amino-N-[[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
PubChem CID120581300
Molecular FormulaC16H24ClF2N3O
Molecular Weight347.84 g/mol
Exact Mass347.16
IUPAC Name3-amino-N-[[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCC1CCCCN1Cc1cc(F)ccc1F
InChIInChI=1S/C16H23F2N3O.ClH/c17-13-4-5-15(18)12(9-13)11-21-8-2-1-3-14(21)10-20-16(22)6-7-19;/h4-5,9,14H,1-3,6-8,10-11,19H2,(H,20,22);1H
InChIKeySILIBSAKRHXMOL-UHFFFAOYSA-N
XLogP2.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[[1-[2-(2,5-difluorophenyl)acetyl]piperidin-2-yl]methyl]propanamide
CID 120578823
3-amino-N-[[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-2-yl]methyl]propanamide
CID 120910902
3-amino-N-[[1-[(2-bromophenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120581348
3-amino-N-[[1-[(2,4-dimethoxyphenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911553
3-amino-N-[[1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methyl]propanamide
CID 120911502
3-[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]propanoic acid
CID 62215995
3-amino-N-[[1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-2-yl]methyl]propanamide
CID 120581253
3-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911439
3-amino-N-[[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]methyl]propanamide
CID 120581429
3-amino-N-[[1-[(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911131
3-amino-N-[[1-(thiophen-3-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120910961
3-amino-N-[[1-(naphthalen-2-ylmethyl)piperidin-2-yl]methyl]propanamide
CID 120581409

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride (CID 120581300) is 3-amino-N-[[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride is Cl.NCCC(=O)NCC1CCCCN1Cc1cc(F)ccc1F.
What is the InChIKey of 3-amino-N-[[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The InChIKey is SILIBSAKRHXMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3O.ClH/c17-13-4-5-15(18)12(9-13)11-21-8-2-1-3-14(21)10-20-16(22)6-7-19;/h4-5,9,14H,1-3,6-8,10-11,19H2,(H,20,22);1H.
What are the key properties of 3-amino-N-[[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
3-amino-N-[[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride has a molecular weight of 347.84 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 120581300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).