3-acetamido-N-methyl-3-phenyl-N-piperidin-4-ylpropanamide;hydrochloride

C17H26ClN3O2 — CID 119442701

IUPAC3-acetamido-N-methyl-3-phenyl-N-piperidin-4-ylpropanamide;hydrochloride
SMILESCC(=O)NC(CC(=O)N(C)C1CCNCC1)c1ccccc1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-13(21)19-16(14-6-4-3-5-7-14)12-17(22)20(2)15-8-10-18-11-9-15;/h3-7,15-16,18H,8-12H2,1-2H3,(H,19,21);1H
InChIKeyMBHSNFZXGCQDAE-UHFFFAOYSA-N
MW339.87 g/mol
LogP1.89
Rot. Bonds5

About 3-acetamido-N-methyl-3-phenyl-N-piperidin-4-ylpropanamide;hydrochloride

3-acetamido-N-methyl-3-phenyl-N-piperidin-4-ylpropanamide;hydrochloride (PubChem CID 119442701) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is 3-acetamido-N-methyl-3-phenyl-N-piperidin-4-ylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-acetamido-N-methyl-3-phenyl-N-piperidin-4-ylpropanamide;hydrochloride
PubChem CID119442701
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC Name3-acetamido-N-methyl-3-phenyl-N-piperidin-4-ylpropanamide;hydrochloride
SMILESCC(=O)NC(CC(=O)N(C)C1CCNCC1)c1ccccc1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-13(21)19-16(14-6-4-3-5-7-14)12-17(22)20(2)15-8-10-18-11-9-15;/h3-7,15-16,18H,8-12H2,1-2H3,(H,19,21);1H
InChIKeyMBHSNFZXGCQDAE-UHFFFAOYSA-N
XLogP1.89
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-methyl-3-(4-methylphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119553846
3-(carbamoylamino)-N-methyl-3-(3-phenoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119551193
3-acetamido-3-(4-chlorophenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide
CID 51312505
3-benzyl-N-methyl-4-phenyl-N-piperidin-4-ylbutanamide
CID 119443283
N-methyl-2-phenylsulfanyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119442580
(3S)-3-acetamido-N-cyclopropyl-3-phenylpropanamide
CID 9165607
3-acetamido-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenylpropanamide;hydrochloride
CID 120943111
3-(carbamoylamino)-N-methyl-N-piperidin-4-yl-3-thiophen-2-ylpropanamide
CID 119443018
3-acetamido-N,N-diethyl-3-phenylpropanamide
CID 78777211
2-[(3-acetamido-3-phenylpropanoyl)-methylamino]propanoic acid
CID 119209228
3-[[cyclopentyl(methyl)carbamoyl]amino]-3-phenylpropanoic acid
CID 61193959
N-methyl-2-(2-methylphenyl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119442046

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-methyl-3-phenyl-N-piperidin-4-ylpropanamide;hydrochloride?
The IUPAC name of 3-acetamido-N-methyl-3-phenyl-N-piperidin-4-ylpropanamide;hydrochloride (CID 119442701) is 3-acetamido-N-methyl-3-phenyl-N-piperidin-4-ylpropanamide;hydrochloride.
What is the SMILES notation for 3-acetamido-N-methyl-3-phenyl-N-piperidin-4-ylpropanamide;hydrochloride?
The canonical SMILES for 3-acetamido-N-methyl-3-phenyl-N-piperidin-4-ylpropanamide;hydrochloride is CC(=O)NC(CC(=O)N(C)C1CCNCC1)c1ccccc1.Cl.
What is the InChIKey of 3-acetamido-N-methyl-3-phenyl-N-piperidin-4-ylpropanamide;hydrochloride?
The InChIKey is MBHSNFZXGCQDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2.ClH/c1-13(21)19-16(14-6-4-3-5-7-14)12-17(22)20(2)15-8-10-18-11-9-15;/h3-7,15-16,18H,8-12H2,1-2H3,(H,19,21);1H.
What are the key properties of 3-acetamido-N-methyl-3-phenyl-N-piperidin-4-ylpropanamide;hydrochloride?
3-acetamido-N-methyl-3-phenyl-N-piperidin-4-ylpropanamide;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-methyl-3-phenyl-N-piperidin-4-ylpropanamide;hydrochloride is sourced from PubChem (CID 119442701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).