lithium;4-[1-[[1-[(4-chlorophenyl)methyl]piperidine-2-carbonyl]amino]cyclopropyl]benzoic acid;hydride

C23H26ClLiN2O3 — CID 173496943

IUPAClithium;4-[1-[[1-[(4-chlorophenyl)methyl]piperidine-2-carbonyl]amino]cyclopropyl]benzoic acid;hydride
SMILESO=C(O)c1ccc(C2(NC(=O)C3CCCCN3Cc3ccc(Cl)cc3)CC2)cc1.[H-].[Li+]
InChIInChI=1S/C23H25ClN2O3.Li.H/c24-19-10-4-16(5-11-19)15-26-14-2-1-3-20(26)21(27)25-23(12-13-23)18-8-6-17(7-9-18)22(28)29;;/h4-11,20H,1-3,12-15H2,(H,25,27)(H,28,29);;/q;+1;-1
InChIKeyVCKSNXVVGRLFIK-UHFFFAOYSA-N
MW420.87 g/mol
LogP1.31
Rot. Bonds6

About lithium;4-[1-[[1-[(4-chlorophenyl)methyl]piperidine-2-carbonyl]amino]cyclopropyl]benzoic acid;hydride

lithium;4-[1-[[1-[(4-chlorophenyl)methyl]piperidine-2-carbonyl]amino]cyclopropyl]benzoic acid;hydride (PubChem CID 173496943) has the molecular formula C23H26ClLiN2O3 and a molecular weight of 420.87 g/mol. Its IUPAC name is lithium;4-[1-[[1-[(4-chlorophenyl)methyl]piperidine-2-carbonyl]amino]cyclopropyl]benzoic acid;hydride.

Molecular Properties

Compound Namelithium;4-[1-[[1-[(4-chlorophenyl)methyl]piperidine-2-carbonyl]amino]cyclopropyl]benzoic acid;hydride
PubChem CID173496943
Molecular FormulaC23H26ClLiN2O3
Molecular Weight420.87 g/mol
Exact Mass420.18
IUPAC Namelithium;4-[1-[[1-[(4-chlorophenyl)methyl]piperidine-2-carbonyl]amino]cyclopropyl]benzoic acid;hydride
SMILESO=C(O)c1ccc(C2(NC(=O)C3CCCCN3Cc3ccc(Cl)cc3)CC2)cc1.[H-].[Li+]
InChIInChI=1S/C23H25ClN2O3.Li.H/c24-19-10-4-16(5-11-19)15-26-14-2-1-3-20(26)21(27)25-23(12-13-23)18-8-6-17(7-9-18)22(28)29;;/h4-11,20H,1-3,12-15H2,(H,25,27)(H,28,29);;/q;+1;-1
InChIKeyVCKSNXVVGRLFIK-UHFFFAOYSA-N
XLogP1.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.87
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze lithium;4-[1-[[1-[(4-chlorophenyl)methyl]piperidine-2-carbonyl]amino]cyclopropyl]benzoic acid;hydride with MolForge

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Related Compounds

4-[1-[[6-[[4-(pentafluoro-λ6-sulfanyl)phenyl]methyl]-6-azaspiro[2.5]octane-7-carbonyl]amino]cyclopropyl]benzoic acid
CID 167168950
4-[1-[[(2R)-1-[[3-(2-methyl-4-sulfamoylphenyl)phenyl]methyl]pyrrolidine-2-carbonyl]amino]cyclopropyl]benzoic acid
CID 175989856
4-[[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 124703936
methyl 4-[1-[[(2R)-4-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carbonyl]amino]cyclopropyl]benzoate
CID 71204702
ethyl 1-[(4-chlorophenyl)methyl]piperidine-2-carboxylate
CID 2838557
2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]acetic acid
CID 54899444
4-[(1S)-1-[[(2R)-1-[(3,4-difluorophenyl)methyl]pyrrolidine-2-carbonyl]amino]ethyl]benzoic acid
CID 71186628
tert-butyl (2R)-2-[[1-(4-methoxycarbonylphenyl)cyclopropyl]carbamoyl]piperidine-1-carboxylate
CID 86731619
(2S)-1-benzyl-N-(thian-4-yl)piperidine-2-carboxamide
CID 97215907
1-[(4-bromophenyl)methyl]piperidine-2-carboxylic acid
CID 4021400
(2S)-1-[(3,4-dichlorophenyl)methyl]piperidine-2-carboxylic acid
CID 51441049
methyl 4-[1-[[3-[[4-(trifluoromethyl)phenyl]methyl]-3-azabicyclo[4.1.0]heptane-4-carbonyl]amino]cyclopropyl]benzoate
CID 71186489

Frequently Asked Questions

What is the IUPAC name of lithium;4-[1-[[1-[(4-chlorophenyl)methyl]piperidine-2-carbonyl]amino]cyclopropyl]benzoic acid;hydride?
The IUPAC name of lithium;4-[1-[[1-[(4-chlorophenyl)methyl]piperidine-2-carbonyl]amino]cyclopropyl]benzoic acid;hydride (CID 173496943) is lithium;4-[1-[[1-[(4-chlorophenyl)methyl]piperidine-2-carbonyl]amino]cyclopropyl]benzoic acid;hydride.
What is the SMILES notation for lithium;4-[1-[[1-[(4-chlorophenyl)methyl]piperidine-2-carbonyl]amino]cyclopropyl]benzoic acid;hydride?
The canonical SMILES for lithium;4-[1-[[1-[(4-chlorophenyl)methyl]piperidine-2-carbonyl]amino]cyclopropyl]benzoic acid;hydride is O=C(O)c1ccc(C2(NC(=O)C3CCCCN3Cc3ccc(Cl)cc3)CC2)cc1.[H-].[Li+].
What is the InChIKey of lithium;4-[1-[[1-[(4-chlorophenyl)methyl]piperidine-2-carbonyl]amino]cyclopropyl]benzoic acid;hydride?
The InChIKey is VCKSNXVVGRLFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O3.Li.H/c24-19-10-4-16(5-11-19)15-26-14-2-1-3-20(26)21(27)25-23(12-13-23)18-8-6-17(7-9-18)22(28)29;;/h4-11,20H,1-3,12-15H2,(H,25,27)(H,28,29);;/q;+1;-1.
What are the key properties of lithium;4-[1-[[1-[(4-chlorophenyl)methyl]piperidine-2-carbonyl]amino]cyclopropyl]benzoic acid;hydride?
lithium;4-[1-[[1-[(4-chlorophenyl)methyl]piperidine-2-carbonyl]amino]cyclopropyl]benzoic acid;hydride has a molecular weight of 420.87 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;4-[1-[[1-[(4-chlorophenyl)methyl]piperidine-2-carbonyl]amino]cyclopropyl]benzoic acid;hydride is sourced from PubChem (CID 173496943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).