2,2,3,3,3-pentadeuterio-N-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;hydrochloride

C17H27ClN2O — CID 71751493

IUPAC2,2,3,3,3-pentadeuterio-N-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;hydrochloride
SMILESCl.[2H]C([2H])([2H])C([2H])([2H])C(=O)N(c1ccccc1)C(C)CN1CCCCC1
InChIInChI=1S/C17H26N2O.ClH/c1-3-17(20)19(16-10-6-4-7-11-16)15(2)14-18-12-8-5-9-13-18;/h4,6-7,10-11,15H,3,5,8-9,12-14H2,1-2H3;1H/i1D3,3D2;
InChIKeyAUEUUAMHKRZWEJ-IYSLTCQOSA-N
MW315.90 g/mol
LogP3.73
Rot. Bonds6

About 2,2,3,3,3-pentadeuterio-N-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;hydrochloride

2,2,3,3,3-pentadeuterio-N-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;hydrochloride (PubChem CID 71751493) has the molecular formula C17H27ClN2O and a molecular weight of 315.90 g/mol. Its IUPAC name is 2,2,3,3,3-pentadeuterio-N-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name2,2,3,3,3-pentadeuterio-N-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;hydrochloride
PubChem CID71751493
Molecular FormulaC17H27ClN2O
Molecular Weight315.90 g/mol
Exact Mass315.21
IUPAC Name2,2,3,3,3-pentadeuterio-N-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;hydrochloride
SMILESCl.[2H]C([2H])([2H])C([2H])([2H])C(=O)N(c1ccccc1)C(C)CN1CCCCC1
InChIInChI=1S/C17H26N2O.ClH/c1-3-17(20)19(16-10-6-4-7-11-16)15(2)14-18-12-8-5-9-13-18;/h4,6-7,10-11,15H,3,5,8-9,12-14H2,1-2H3;1H/i1D3,3D2;
InChIKeyAUEUUAMHKRZWEJ-IYSLTCQOSA-N
XLogP3.73
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.90
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2,3,3,3-pentadeuterio-N-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methoxyphenyl)-N-(1-piperidin-1-ylpropan-2-yl)propanamide
CID 24843780
N-phenyl-N-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]propanamide
CID 3060009
bis(N-[1-(4-hydroxy-4-phenylpiperidin-1-yl)propan-2-yl]-N-phenylpropanamide);oxalic acid
CID 3048542
3-(azepan-1-yl)-2-methyl-1-phenylpropan-1-one
CID 2848399
3-methyl-1,1-diphenyl-4-pyrrolidin-1-ylbutan-1-ol;hydrochloride
CID 3060750
N-phenyl-2-(4-propanoyl-1,4-diazepan-1-yl)-N-propan-2-ylacetamide
CID 87021791
1,6-diphenyl-2,5-bis(piperidin-1-ylmethyl)hexane-1,6-dione;dihydrochloride
CID 3078025
2-phenyl-3-piperidin-1-ylpropanoic acid;hydrochloride
CID 67449753
2,2,3,3,3-pentadeuterio-N-[1-(2,2-dideuterio-2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide
CID 59152705
N-methyl-N-phenyl-3-piperidin-1-ylpropanamide
CID 110688340
N-phenyl-1-propanoyl-N-propan-2-ylpiperidine-3-carboxamide
CID 87037742
2,2,3,3,3-pentadeuterio-N-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]-N-(2,3,4,5,6-pentadeuteriophenyl)propanamide
CID 45107633

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentadeuterio-N-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;hydrochloride?
The IUPAC name of 2,2,3,3,3-pentadeuterio-N-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;hydrochloride (CID 71751493) is 2,2,3,3,3-pentadeuterio-N-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;hydrochloride.
What is the SMILES notation for 2,2,3,3,3-pentadeuterio-N-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;hydrochloride?
The canonical SMILES for 2,2,3,3,3-pentadeuterio-N-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;hydrochloride is Cl.[2H]C([2H])([2H])C([2H])([2H])C(=O)N(c1ccccc1)C(C)CN1CCCCC1.
What is the InChIKey of 2,2,3,3,3-pentadeuterio-N-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;hydrochloride?
The InChIKey is AUEUUAMHKRZWEJ-IYSLTCQOSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c1-3-17(20)19(16-10-6-4-7-11-16)15(2)14-18-12-8-5-9-13-18;/h4,6-7,10-11,15H,3,5,8-9,12-14H2,1-2H3;1H/i1D3,3D2;.
What are the key properties of 2,2,3,3,3-pentadeuterio-N-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;hydrochloride?
2,2,3,3,3-pentadeuterio-N-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;hydrochloride has a molecular weight of 315.90 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentadeuterio-N-phenyl-N-(1-piperidin-1-ylpropan-2-yl)propanamide;hydrochloride is sourced from PubChem (CID 71751493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).