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

C18H30ClN3O2 — CID 120911453

IUPAC3-amino-N-[[1-[(3-ethoxyphenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCCOc1cccc(CN2CCCCC2CNC(=O)CCN)c1.Cl
InChIInChI=1S/C18H29N3O2.ClH/c1-2-23-17-8-5-6-15(12-17)14-21-11-4-3-7-16(21)13-20-18(22)9-10-19;/h5-6,8,12,16H,2-4,7,9-11,13-14,19H2,1H3,(H,20,22);1H
InChIKeyFJQFJVKEPNMFQF-UHFFFAOYSA-N
MW355.91 g/mol
LogP2.33
Rot. Bonds8

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

3-amino-N-[[1-[(3-ethoxyphenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride (PubChem CID 120911453) has the molecular formula C18H30ClN3O2 and a molecular weight of 355.91 g/mol. Its IUPAC name is 3-amino-N-[[1-[(3-ethoxyphenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-[(3-ethoxyphenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
PubChem CID120911453
Molecular FormulaC18H30ClN3O2
Molecular Weight355.91 g/mol
Exact Mass355.20
IUPAC Name3-amino-N-[[1-[(3-ethoxyphenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCCOc1cccc(CN2CCCCC2CNC(=O)CCN)c1.Cl
InChIInChI=1S/C18H29N3O2.ClH/c1-2-23-17-8-5-6-15(12-17)14-21-11-4-3-7-16(21)13-20-18(22)9-10-19;/h5-6,8,12,16H,2-4,7,9-11,13-14,19H2,1H3,(H,20,22);1H
InChIKeyFJQFJVKEPNMFQF-UHFFFAOYSA-N
XLogP2.33
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.91
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[[1-[(3-propoxyphenyl)methyl]piperidin-2-yl]methyl]propanamide
CID 120910974
3-amino-N-[[1-(naphthalen-2-ylmethyl)piperidin-2-yl]methyl]propanamide
CID 120581409
3-amino-N-[[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911055
3-amino-N-[[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]methyl]propanamide
CID 120581429
3-amino-N-[[1-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911201
3-amino-N-[[1-(thiophen-3-ylmethyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120910961
3-amino-N-[[1-[(4-methyl-3-nitrophenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911335
3-amino-N-[[1-[(4-methoxy-3-nitrophenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120581326
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-[(4-chloro-3-nitrophenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120910957
3-amino-N-[[1-[(3-hydroxy-2-methoxyphenyl)methyl]piperidin-2-yl]methyl]propanamide
CID 120911276

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-[(3-ethoxyphenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[1-[(3-ethoxyphenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride (CID 120911453) is 3-amino-N-[[1-[(3-ethoxyphenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[1-[(3-ethoxyphenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[1-[(3-ethoxyphenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride is CCOc1cccc(CN2CCCCC2CNC(=O)CCN)c1.Cl.
What is the InChIKey of 3-amino-N-[[1-[(3-ethoxyphenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The InChIKey is FJQFJVKEPNMFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2.ClH/c1-2-23-17-8-5-6-15(12-17)14-21-11-4-3-7-16(21)13-20-18(22)9-10-19;/h5-6,8,12,16H,2-4,7,9-11,13-14,19H2,1H3,(H,20,22);1H.
What are the key properties of 3-amino-N-[[1-[(3-ethoxyphenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
3-amino-N-[[1-[(3-ethoxyphenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride has a molecular weight of 355.91 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-[(3-ethoxyphenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 120911453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).