4-[[4-[(3,4-dichlorophenyl)methoxy]piperidine-1-carbonyl]amino]butanoic acid

C17H22Cl2N2O4 — CID 122022190

IUPAC4-[[4-[(3,4-dichlorophenyl)methoxy]piperidine-1-carbonyl]amino]butanoic acid
SMILESO=C(O)CCCNC(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C17H22Cl2N2O4/c18-14-4-3-12(10-15(14)19)11-25-13-5-8-21(9-6-13)17(24)20-7-1-2-16(22)23/h3-4,10,13H,1-2,5-9,11H2,(H,20,24)(H,22,23)
InChIKeyGRHWSUXRIRMDJK-UHFFFAOYSA-N
MW389.28 g/mol
LogP3.55
Rot. Bonds7

About 4-[[4-[(3,4-dichlorophenyl)methoxy]piperidine-1-carbonyl]amino]butanoic acid

4-[[4-[(3,4-dichlorophenyl)methoxy]piperidine-1-carbonyl]amino]butanoic acid (PubChem CID 122022190) has the molecular formula C17H22Cl2N2O4 and a molecular weight of 389.28 g/mol. Its IUPAC name is 4-[[4-[(3,4-dichlorophenyl)methoxy]piperidine-1-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[4-[(3,4-dichlorophenyl)methoxy]piperidine-1-carbonyl]amino]butanoic acid
PubChem CID122022190
Molecular FormulaC17H22Cl2N2O4
Molecular Weight389.28 g/mol
Exact Mass388.10
IUPAC Name4-[[4-[(3,4-dichlorophenyl)methoxy]piperidine-1-carbonyl]amino]butanoic acid
SMILESO=C(O)CCCNC(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C17H22Cl2N2O4/c18-14-4-3-12(10-15(14)19)11-25-13-5-8-21(9-6-13)17(24)20-7-1-2-16(22)23/h3-4,10,13H,1-2,5-9,11H2,(H,20,24)(H,22,23)
InChIKeyGRHWSUXRIRMDJK-UHFFFAOYSA-N
XLogP3.55
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.28
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopropylmethylamino)-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]ethanone;hydrochloride
CID 119810709
(2S)-2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]propan-1-one
CID 119339045
4-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-3-methoxybutan-1-one;hydrochloride
CID 120593766
2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone
CID 119339061
4-[[2-(3,4-dichlorophenyl)morpholine-4-carbonyl]amino]butanoic acid
CID 122021290
2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119339060
2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-3-methylpentan-1-one
CID 119810716
4-[(4-phenylpiperidine-1-carbonyl)amino]butanoic acid
CID 122021606
4-[[4-(4-cyanophenoxy)piperidine-1-carbonyl]amino]butanoic acid
CID 122021250
[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120637219
3-[1-(butylcarbamoyl)piperidin-4-yl]oxypropanoic acid
CID 55251437
4-[[4-(4-chloro-2-fluorobenzoyl)piperazine-1-carbonyl]amino]butanoic acid
CID 122021281

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(3,4-dichlorophenyl)methoxy]piperidine-1-carbonyl]amino]butanoic acid?
The IUPAC name of 4-[[4-[(3,4-dichlorophenyl)methoxy]piperidine-1-carbonyl]amino]butanoic acid (CID 122022190) is 4-[[4-[(3,4-dichlorophenyl)methoxy]piperidine-1-carbonyl]amino]butanoic acid.
What is the SMILES notation for 4-[[4-[(3,4-dichlorophenyl)methoxy]piperidine-1-carbonyl]amino]butanoic acid?
The canonical SMILES for 4-[[4-[(3,4-dichlorophenyl)methoxy]piperidine-1-carbonyl]amino]butanoic acid is O=C(O)CCCNC(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 4-[[4-[(3,4-dichlorophenyl)methoxy]piperidine-1-carbonyl]amino]butanoic acid?
The InChIKey is GRHWSUXRIRMDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N2O4/c18-14-4-3-12(10-15(14)19)11-25-13-5-8-21(9-6-13)17(24)20-7-1-2-16(22)23/h3-4,10,13H,1-2,5-9,11H2,(H,20,24)(H,22,23).
What are the key properties of 4-[[4-[(3,4-dichlorophenyl)methoxy]piperidine-1-carbonyl]amino]butanoic acid?
4-[[4-[(3,4-dichlorophenyl)methoxy]piperidine-1-carbonyl]amino]butanoic acid has a molecular weight of 389.28 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(3,4-dichlorophenyl)methoxy]piperidine-1-carbonyl]amino]butanoic acid is sourced from PubChem (CID 122022190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).