3-amino-N-[[1-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperidin-2-yl]methyl]propanamide;hydrochloride

C18H28ClF2N3O2 — CID 120911201

IUPAC3-amino-N-[[1-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCC1CCCCN1Cc1ccc(OCC(F)F)cc1
InChIInChI=1S/C18H27F2N3O2.ClH/c19-17(20)13-25-16-6-4-14(5-7-16)12-23-10-2-1-3-15(23)11-22-18(24)8-9-21;/h4-7,15,17H,1-3,8-13,21H2,(H,22,24);1H
InChIKeyIMCDKHSVTALYBS-UHFFFAOYSA-N
MW391.89 g/mol
LogP2.57
Rot. Bonds9

About 3-amino-N-[[1-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperidin-2-yl]methyl]propanamide;hydrochloride

3-amino-N-[[1-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperidin-2-yl]methyl]propanamide;hydrochloride (PubChem CID 120911201) has the molecular formula C18H28ClF2N3O2 and a molecular weight of 391.89 g/mol. Its IUPAC name is 3-amino-N-[[1-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperidin-2-yl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
PubChem CID120911201
Molecular FormulaC18H28ClF2N3O2
Molecular Weight391.89 g/mol
Exact Mass391.18
IUPAC Name3-amino-N-[[1-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCC1CCCCN1Cc1ccc(OCC(F)F)cc1
InChIInChI=1S/C18H27F2N3O2.ClH/c19-17(20)13-25-16-6-4-14(5-7-16)12-23-10-2-1-3-15(23)11-22-18(24)8-9-21;/h4-7,15,17H,1-3,8-13,21H2,(H,22,24);1H
InChIKeyIMCDKHSVTALYBS-UHFFFAOYSA-N
XLogP2.57
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.89
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911055
3-amino-N-[[1-(naphthalen-2-ylmethyl)piperidin-2-yl]methyl]propanamide
CID 120581409
3-amino-N-[[1-[(3-ethoxyphenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911453
3-amino-N-[[1-(thiophen-3-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride
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3-amino-N-[[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-2-yl]methyl]propanamide
CID 120910902
3-amino-N-[[1-[(3-propoxyphenyl)methyl]piperidin-2-yl]methyl]propanamide
CID 120910974
3-amino-N-[[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]methyl]propanamide
CID 120581429
3-amino-N-[[1-[(4-chloro-3-nitrophenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120910957
3-amino-N-[[1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]piperidin-2-yl]methyl]propanamide
CID 120911172
3-amino-N-[[1-[(2,4-dimethoxyphenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911553
3-amino-N-[[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120581300
3-amino-N-[[1-[(3-chloro-2-pyridinyl)methyl]piperidin-2-yl]methyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[1-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperidin-2-yl]methyl]propanamide;hydrochloride (CID 120911201) is 3-amino-N-[[1-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperidin-2-yl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[1-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[1-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperidin-2-yl]methyl]propanamide;hydrochloride is Cl.NCCC(=O)NCC1CCCCN1Cc1ccc(OCC(F)F)cc1.
What is the InChIKey of 3-amino-N-[[1-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The InChIKey is IMCDKHSVTALYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F2N3O2.ClH/c19-17(20)13-25-16-6-4-14(5-7-16)12-23-10-2-1-3-15(23)11-22-18(24)8-9-21;/h4-7,15,17H,1-3,8-13,21H2,(H,22,24);1H.
What are the key properties of 3-amino-N-[[1-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
3-amino-N-[[1-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperidin-2-yl]methyl]propanamide;hydrochloride has a molecular weight of 391.89 g/mol, XLogP of 2.57, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperidin-2-yl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 120911201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).