2-amino-3-methoxy-N-[1-(3-phenylpropanoyl)piperidin-4-yl]propanamide;hydrochloride

C18H28ClN3O3 — CID 120986204

IUPAC2-amino-3-methoxy-N-[1-(3-phenylpropanoyl)piperidin-4-yl]propanamide;hydrochloride
SMILESCOCC(N)C(=O)NC1CCN(C(=O)CCc2ccccc2)CC1.Cl
InChIInChI=1S/C18H27N3O3.ClH/c1-24-13-16(19)18(23)20-15-9-11-21(12-10-15)17(22)8-7-14-5-3-2-4-6-14;/h2-6,15-16H,7-13,19H2,1H3,(H,20,23);1H
InChIKeyOCXHDLJZCWXOCY-UHFFFAOYSA-N
MW369.89 g/mol
LogP1.12
Rot. Bonds7

About 2-amino-3-methoxy-N-[1-(3-phenylpropanoyl)piperidin-4-yl]propanamide;hydrochloride

2-amino-3-methoxy-N-[1-(3-phenylpropanoyl)piperidin-4-yl]propanamide;hydrochloride (PubChem CID 120986204) has the molecular formula C18H28ClN3O3 and a molecular weight of 369.89 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-[1-(3-phenylpropanoyl)piperidin-4-yl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methoxy-N-[1-(3-phenylpropanoyl)piperidin-4-yl]propanamide;hydrochloride
PubChem CID120986204
Molecular FormulaC18H28ClN3O3
Molecular Weight369.89 g/mol
Exact Mass369.18
IUPAC Name2-amino-3-methoxy-N-[1-(3-phenylpropanoyl)piperidin-4-yl]propanamide;hydrochloride
SMILESCOCC(N)C(=O)NC1CCN(C(=O)CCc2ccccc2)CC1.Cl
InChIInChI=1S/C18H27N3O3.ClH/c1-24-13-16(19)18(23)20-15-9-11-21(12-10-15)17(22)8-7-14-5-3-2-4-6-14;/h2-6,15-16H,7-13,19H2,1H3,(H,20,23);1H
InChIKeyOCXHDLJZCWXOCY-UHFFFAOYSA-N
XLogP1.12
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.89
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[1-(3-phenylpropanoyl)piperidin-4-yl]propanamide
CID 119295787
2-chloroethyl N-[1-(3-phenylpropanoyl)piperidin-4-yl]carbamate
CID 108566100
2-amino-3-methoxy-N-[1-(2-methoxyacetyl)piperidin-4-yl]propanamide
CID 81083241
2-amino-3-methoxy-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide
CID 120988219
2-amino-2-(oxan-4-yl)-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide
CID 120788504
ethyl 4-oxo-4-[[1-(3-phenylpropanoyl)piperidin-4-yl]amino]butanoate
CID 108566087
N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 110820836
benzyl N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]carbamate
CID 108566597
2,2,2-trifluoro-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide
CID 108548737
N-[1-(3-chloropropanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 108561867
N-[1-(3-phenylpropanoyl)piperidin-4-yl]prop-2-enamide
CID 166406035
1-amino-N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopentane-1-carboxamide
CID 119295785

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-[1-(3-phenylpropanoyl)piperidin-4-yl]propanamide;hydrochloride?
The IUPAC name of 2-amino-3-methoxy-N-[1-(3-phenylpropanoyl)piperidin-4-yl]propanamide;hydrochloride (CID 120986204) is 2-amino-3-methoxy-N-[1-(3-phenylpropanoyl)piperidin-4-yl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-methoxy-N-[1-(3-phenylpropanoyl)piperidin-4-yl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-3-methoxy-N-[1-(3-phenylpropanoyl)piperidin-4-yl]propanamide;hydrochloride is COCC(N)C(=O)NC1CCN(C(=O)CCc2ccccc2)CC1.Cl.
What is the InChIKey of 2-amino-3-methoxy-N-[1-(3-phenylpropanoyl)piperidin-4-yl]propanamide;hydrochloride?
The InChIKey is OCXHDLJZCWXOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3.ClH/c1-24-13-16(19)18(23)20-15-9-11-21(12-10-15)17(22)8-7-14-5-3-2-4-6-14;/h2-6,15-16H,7-13,19H2,1H3,(H,20,23);1H.
What are the key properties of 2-amino-3-methoxy-N-[1-(3-phenylpropanoyl)piperidin-4-yl]propanamide;hydrochloride?
2-amino-3-methoxy-N-[1-(3-phenylpropanoyl)piperidin-4-yl]propanamide;hydrochloride has a molecular weight of 369.89 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-[1-(3-phenylpropanoyl)piperidin-4-yl]propanamide;hydrochloride is sourced from PubChem (CID 120986204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).