lithium;4-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]-4-oxobutanoic acid;hydride

C16H21Cl2LiN2O3 — CID 173119954

IUPAClithium;4-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]-4-oxobutanoic acid;hydride
SMILESO=C(O)CCC(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1.[H-].[Li+]
InChIInChI=1S/C16H20Cl2N2O3.Li.H/c17-13-2-1-11(9-14(13)18)10-20-7-5-12(6-8-20)19-15(21)3-4-16(22)23;;/h1-2,9,12H,3-8,10H2,(H,19,21)(H,22,23);;/q;+1;-1
InChIKeyXKODXOXRXBXJQG-UHFFFAOYSA-N
MW367.20 g/mol
LogP0.06
Rot. Bonds6

About lithium;4-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]-4-oxobutanoic acid;hydride

lithium;4-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]-4-oxobutanoic acid;hydride (PubChem CID 173119954) has the molecular formula C16H21Cl2LiN2O3 and a molecular weight of 367.20 g/mol. Its IUPAC name is lithium;4-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]-4-oxobutanoic acid;hydride.

Molecular Properties

Compound Namelithium;4-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]-4-oxobutanoic acid;hydride
PubChem CID173119954
Molecular FormulaC16H21Cl2LiN2O3
Molecular Weight367.20 g/mol
Exact Mass366.11
IUPAC Namelithium;4-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]-4-oxobutanoic acid;hydride
SMILESO=C(O)CCC(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1.[H-].[Li+]
InChIInChI=1S/C16H20Cl2N2O3.Li.H/c17-13-2-1-11(9-14(13)18)10-20-7-5-12(6-8-20)19-15(21)3-4-16(22)23;;/h1-2,9,12H,3-8,10H2,(H,19,21)(H,22,23);;/q;+1;-1
InChIKeyXKODXOXRXBXJQG-UHFFFAOYSA-N
XLogP0.06
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.20
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze lithium;4-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]-4-oxobutanoic acid;hydride with MolForge

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Related Compounds

N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-3-phenylsulfanylpropanamide
CID 22396246
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-N'-pyridin-2-ylbutanediamide
CID 20794188
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-methoxyacetamide
CID 86993237
methyl 4-[3-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]benzoate
CID 68955678
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-phenylbut-3-enamide
CID 68884586
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-pyrimidin-2-yloxyacetamide
CID 22396240
4-[4-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]-4-oxobutan-2-yl]benzoic acid
CID 24745154
(2R)-2-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]propanamide;dihydrochloride
CID 119883495
2-(3,4-dichlorophenyl)-N-(1-ethylpiperidin-4-yl)acetamide
CID 17173850
1-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide
CID 119883492
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzamide
CID 10134420
4-[[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]methyl]benzoic acid
CID 122031321

Frequently Asked Questions

What is the IUPAC name of lithium;4-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]-4-oxobutanoic acid;hydride?
The IUPAC name of lithium;4-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]-4-oxobutanoic acid;hydride (CID 173119954) is lithium;4-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]-4-oxobutanoic acid;hydride.
What is the SMILES notation for lithium;4-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]-4-oxobutanoic acid;hydride?
The canonical SMILES for lithium;4-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]-4-oxobutanoic acid;hydride is O=C(O)CCC(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1.[H-].[Li+].
What is the InChIKey of lithium;4-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]-4-oxobutanoic acid;hydride?
The InChIKey is XKODXOXRXBXJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O3.Li.H/c17-13-2-1-11(9-14(13)18)10-20-7-5-12(6-8-20)19-15(21)3-4-16(22)23;;/h1-2,9,12H,3-8,10H2,(H,19,21)(H,22,23);;/q;+1;-1.
What are the key properties of lithium;4-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]-4-oxobutanoic acid;hydride?
lithium;4-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]-4-oxobutanoic acid;hydride has a molecular weight of 367.20 g/mol, XLogP of 0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;4-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]-4-oxobutanoic acid;hydride is sourced from PubChem (CID 173119954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).