2-[1-(3-amino-2-phenylpropanoyl)piperidin-4-yl]acetamide;hydrochloride

C16H24ClN3O2 — CID 119727574

IUPAC2-[1-(3-amino-2-phenylpropanoyl)piperidin-4-yl]acetamide;hydrochloride
SMILESCl.NCC(C(=O)N1CCC(CC(N)=O)CC1)c1ccccc1
InChIInChI=1S/C16H23N3O2.ClH/c17-11-14(13-4-2-1-3-5-13)16(21)19-8-6-12(7-9-19)10-15(18)20;/h1-5,12,14H,6-11,17H2,(H2,18,20);1H
InChIKeyLHVGOOSHRQRIRI-UHFFFAOYSA-N
MW325.84 g/mol
LogP1.26
Rot. Bonds5

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

2-[1-(3-amino-2-phenylpropanoyl)piperidin-4-yl]acetamide;hydrochloride (PubChem CID 119727574) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is 2-[1-(3-amino-2-phenylpropanoyl)piperidin-4-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[1-(3-amino-2-phenylpropanoyl)piperidin-4-yl]acetamide;hydrochloride
PubChem CID119727574
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC Name2-[1-(3-amino-2-phenylpropanoyl)piperidin-4-yl]acetamide;hydrochloride
SMILESCl.NCC(C(=O)N1CCC(CC(N)=O)CC1)c1ccccc1
InChIInChI=1S/C16H23N3O2.ClH/c17-11-14(13-4-2-1-3-5-13)16(21)19-8-6-12(7-9-19)10-15(18)20;/h1-5,12,14H,6-11,17H2,(H2,18,20);1H
InChIKeyLHVGOOSHRQRIRI-UHFFFAOYSA-N
XLogP1.26
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-phenyl-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119707250
3-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-phenylpropan-1-one
CID 114797349
2-[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]acetamide
CID 60962563
2-[1-(3-phenyl-2-sulfanylpropanoyl)piperidin-4-yl]acetamide
CID 107026191
3-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylpropan-1-one;hydrochloride
CID 86777183
3-amino-1-(4,4-dimethylpiperidin-1-yl)-2-phenylpropan-1-one
CID 62937432
2-[1-[2-(3-aminophenyl)propanoyl]piperidin-4-yl]acetamide
CID 106591103
3-amino-1-(4-benzoylpiperazin-1-yl)-2-phenylpropan-1-one
CID 119683415
(2S)-3-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylpropan-1-one
CID 94888789
(2R)-3-amino-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-phenylpropan-1-one
CID 124696045
1-(3-amino-2-phenylpropanoyl)piperidine-3-carboxylic acid
CID 62877152
3-amino-1-(1,4-oxazepan-4-yl)-2-phenylpropan-1-one
CID 55139401

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-amino-2-phenylpropanoyl)piperidin-4-yl]acetamide;hydrochloride?
The IUPAC name of 2-[1-(3-amino-2-phenylpropanoyl)piperidin-4-yl]acetamide;hydrochloride (CID 119727574) is 2-[1-(3-amino-2-phenylpropanoyl)piperidin-4-yl]acetamide;hydrochloride.
What is the SMILES notation for 2-[1-(3-amino-2-phenylpropanoyl)piperidin-4-yl]acetamide;hydrochloride?
The canonical SMILES for 2-[1-(3-amino-2-phenylpropanoyl)piperidin-4-yl]acetamide;hydrochloride is Cl.NCC(C(=O)N1CCC(CC(N)=O)CC1)c1ccccc1.
What is the InChIKey of 2-[1-(3-amino-2-phenylpropanoyl)piperidin-4-yl]acetamide;hydrochloride?
The InChIKey is LHVGOOSHRQRIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2.ClH/c17-11-14(13-4-2-1-3-5-13)16(21)19-8-6-12(7-9-19)10-15(18)20;/h1-5,12,14H,6-11,17H2,(H2,18,20);1H.
What are the key properties of 2-[1-(3-amino-2-phenylpropanoyl)piperidin-4-yl]acetamide;hydrochloride?
2-[1-(3-amino-2-phenylpropanoyl)piperidin-4-yl]acetamide;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-amino-2-phenylpropanoyl)piperidin-4-yl]acetamide;hydrochloride is sourced from PubChem (CID 119727574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).