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

C20H34ClN3O2 — CID 120911055

IUPAC3-amino-N-[[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCC(C)COc1ccc(CN2CCCCC2CNC(=O)CCN)cc1.Cl
InChIInChI=1S/C20H33N3O2.ClH/c1-16(2)15-25-19-8-6-17(7-9-19)14-23-12-4-3-5-18(23)13-22-20(24)10-11-21;/h6-9,16,18H,3-5,10-15,21H2,1-2H3,(H,22,24);1H
InChIKeyOWHXZXBLHDBFNO-UHFFFAOYSA-N
MW383.96 g/mol
LogP2.96
Rot. Bonds9

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

3-amino-N-[[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-2-yl]methyl]propanamide;hydrochloride (PubChem CID 120911055) has the molecular formula C20H34ClN3O2 and a molecular weight of 383.96 g/mol. Its IUPAC name is 3-amino-N-[[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-2-yl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
PubChem CID120911055
Molecular FormulaC20H34ClN3O2
Molecular Weight383.96 g/mol
Exact Mass383.23
IUPAC Name3-amino-N-[[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCC(C)COc1ccc(CN2CCCCC2CNC(=O)CCN)cc1.Cl
InChIInChI=1S/C20H33N3O2.ClH/c1-16(2)15-25-19-8-6-17(7-9-19)14-23-12-4-3-5-18(23)13-22-20(24)10-11-21;/h6-9,16,18H,3-5,10-15,21H2,1-2H3,(H,22,24);1H
InChIKeyOWHXZXBLHDBFNO-UHFFFAOYSA-N
XLogP2.96
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.96
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[[1-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911201
3-amino-N-[[1-[(3-ethoxyphenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911453
3-amino-N-[[1-(naphthalen-2-ylmethyl)piperidin-2-yl]methyl]propanamide
CID 120581409
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-(thiophen-3-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120910961
3-amino-N-[[1-[(2,4-dimethoxyphenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911553
methyl 4-[[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]methyl]-1H-pyrrole-2-carboxylate
CID 120911626
3-amino-N-[[1-(2-phenylpropyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120910963
3-amino-N-[[1-[(4-chloro-3-nitrophenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120910957
3-amino-N-[[1-[4-(3-methylbutoxy)benzoyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578236
3-amino-N-[[1-[(4-methyl-3-nitrophenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911335

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-2-yl]methyl]propanamide;hydrochloride (CID 120911055) is 3-amino-N-[[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-2-yl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-2-yl]methyl]propanamide;hydrochloride is CC(C)COc1ccc(CN2CCCCC2CNC(=O)CCN)cc1.Cl.
What is the InChIKey of 3-amino-N-[[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The InChIKey is OWHXZXBLHDBFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2.ClH/c1-16(2)15-25-19-8-6-17(7-9-19)14-23-12-4-3-5-18(23)13-22-20(24)10-11-21;/h6-9,16,18H,3-5,10-15,21H2,1-2H3,(H,22,24);1H.
What are the key properties of 3-amino-N-[[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
3-amino-N-[[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-2-yl]methyl]propanamide;hydrochloride has a molecular weight of 383.96 g/mol, XLogP of 2.96, 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-methylpropoxy)phenyl]methyl]piperidin-2-yl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 120911055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).