N-[4-(3-piperidin-1-ylpropanoyl)phenyl]acetamide;hydrochloride

C16H23ClN2O2 — CID 54601120

IUPACN-[4-(3-piperidin-1-ylpropanoyl)phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(C(=O)CCN2CCCCC2)cc1.Cl
InChIInChI=1S/C16H22N2O2.ClH/c1-13(19)17-15-7-5-14(6-8-15)16(20)9-12-18-10-3-2-4-11-18;/h5-8H,2-4,9-12H2,1H3,(H,17,19);1H
InChIKeyNELKFDBYPJJQRN-UHFFFAOYSA-N
MW310.83 g/mol
LogP3.13
Rot. Bonds5

About N-[4-(3-piperidin-1-ylpropanoyl)phenyl]acetamide;hydrochloride

N-[4-(3-piperidin-1-ylpropanoyl)phenyl]acetamide;hydrochloride (PubChem CID 54601120) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.83 g/mol. Its IUPAC name is N-[4-(3-piperidin-1-ylpropanoyl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(3-piperidin-1-ylpropanoyl)phenyl]acetamide;hydrochloride
PubChem CID54601120
Molecular FormulaC16H23ClN2O2
Molecular Weight310.83 g/mol
Exact Mass310.14
IUPAC NameN-[4-(3-piperidin-1-ylpropanoyl)phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(C(=O)CCN2CCCCC2)cc1.Cl
InChIInChI=1S/C16H22N2O2.ClH/c1-13(19)17-15-7-5-14(6-8-15)16(20)9-12-18-10-3-2-4-11-18;/h5-8H,2-4,9-12H2,1H3,(H,17,19);1H
InChIKeyNELKFDBYPJJQRN-UHFFFAOYSA-N
XLogP3.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(azepan-1-yl)-1-[4-[3-(azepan-1-yl)propanoyl]phenyl]propan-1-one;dihydrochloride
CID 52997576
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CID 155569851
1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride
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(4-acetamidophenyl) 3-piperidin-1-ylpropanoate;hydrochloride
CID 56680027
2-piperidin-1-ylethyl N-(4-acetylphenyl)carbamate;hydrochloride
CID 45048307
N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 60575256
3-piperidin-1-yl-1-(4-propylphenyl)propan-1-one
CID 94273024
N-[4-(3-pyrrolidin-1-ylpropylamino)phenyl]acetamide
CID 61494179
N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]acetamide
CID 14852210
4-(3-pyrrolidin-1-ylpropanoylamino)benzamide
CID 110688218
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N-[4-(3-aminopropanoyl)phenyl]acetamide
CID 82341482

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-piperidin-1-ylpropanoyl)phenyl]acetamide;hydrochloride?
The IUPAC name of N-[4-(3-piperidin-1-ylpropanoyl)phenyl]acetamide;hydrochloride (CID 54601120) is N-[4-(3-piperidin-1-ylpropanoyl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[4-(3-piperidin-1-ylpropanoyl)phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[4-(3-piperidin-1-ylpropanoyl)phenyl]acetamide;hydrochloride is CC(=O)Nc1ccc(C(=O)CCN2CCCCC2)cc1.Cl.
What is the InChIKey of N-[4-(3-piperidin-1-ylpropanoyl)phenyl]acetamide;hydrochloride?
The InChIKey is NELKFDBYPJJQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2.ClH/c1-13(19)17-15-7-5-14(6-8-15)16(20)9-12-18-10-3-2-4-11-18;/h5-8H,2-4,9-12H2,1H3,(H,17,19);1H.
What are the key properties of N-[4-(3-piperidin-1-ylpropanoyl)phenyl]acetamide;hydrochloride?
N-[4-(3-piperidin-1-ylpropanoyl)phenyl]acetamide;hydrochloride has a molecular weight of 310.83 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-piperidin-1-ylpropanoyl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 54601120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).