1-(4-amino-5-chloro-2-ethoxyphenyl)-5-piperidin-1-ylpentan-2-one

C18H27ClN2O2 — CID 67740745

IUPAC1-(4-amino-5-chloro-2-ethoxyphenyl)-5-piperidin-1-ylpentan-2-one
SMILESCCOc1cc(N)c(Cl)cc1CC(=O)CCCN1CCCCC1
InChIInChI=1S/C18H27ClN2O2/c1-2-23-18-13-17(20)16(19)12-14(18)11-15(22)7-6-10-21-8-4-3-5-9-21/h12-13H,2-11,20H2,1H3
InChIKeyHRUHXXXWIBCUAP-UHFFFAOYSA-N
MW338.88 g/mol
LogP3.70
Rot. Bonds8

About 1-(4-amino-5-chloro-2-ethoxyphenyl)-5-piperidin-1-ylpentan-2-one

1-(4-amino-5-chloro-2-ethoxyphenyl)-5-piperidin-1-ylpentan-2-one (PubChem CID 67740745) has the molecular formula C18H27ClN2O2 and a molecular weight of 338.88 g/mol. Its IUPAC name is 1-(4-amino-5-chloro-2-ethoxyphenyl)-5-piperidin-1-ylpentan-2-one.

Molecular Properties

Compound Name1-(4-amino-5-chloro-2-ethoxyphenyl)-5-piperidin-1-ylpentan-2-one
PubChem CID67740745
Molecular FormulaC18H27ClN2O2
Molecular Weight338.88 g/mol
Exact Mass338.18
IUPAC Name1-(4-amino-5-chloro-2-ethoxyphenyl)-5-piperidin-1-ylpentan-2-one
SMILESCCOc1cc(N)c(Cl)cc1CC(=O)CCCN1CCCCC1
InChIInChI=1S/C18H27ClN2O2/c1-2-23-18-13-17(20)16(19)12-14(18)11-15(22)7-6-10-21-8-4-3-5-9-21/h12-13H,2-11,20H2,1H3
InChIKeyHRUHXXXWIBCUAP-UHFFFAOYSA-N
XLogP3.70
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-amino-5-chloro-2-methoxyphenyl)-5-(4-methoxypiperidin-1-yl)pentan-2-one
CID 67741085
1-(4-amino-5-chloro-2-propoxyphenyl)-5-piperidin-1-ylpentan-1-one
CID 19081864
1-[4-amino-5-chloro-2-[(3,5-dimethylphenyl)methoxy]phenyl]-5-piperidin-1-ylpentan-1-one
CID 19081989
1-(4-amino-5-chloro-2-methoxyphenyl)-3-[1-(2-methoxyethyl)piperidin-4-yl]propan-2-one
CID 67740846
1-(3-chloro-4-ethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-one
CID 82052865
ethyl 4-piperidin-1-ylbutanoate
CID 14044356
1-[5-(4-amino-5-chloro-2-methoxyphenyl)-5-oxopentyl]piperidine-4-carboxamide
CID 19081936
6-piperidin-1-ylhexan-3-one;hydrochloride
CID 175565932
N-(4-amino-5-chloro-2-methoxyphenyl)-1-hexylpiperidine-4-carboxamide
CID 13216250
1-(4-amino-5-chloro-2-methoxyphenyl)-3-(1-methylpiperidin-4-yl)propan-2-one
CID 67740825
1-(5-chloro-2-ethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-one
CID 82051123
2-amino-5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)benzoic acid
CID 130345860

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-5-chloro-2-ethoxyphenyl)-5-piperidin-1-ylpentan-2-one?
The IUPAC name of 1-(4-amino-5-chloro-2-ethoxyphenyl)-5-piperidin-1-ylpentan-2-one (CID 67740745) is 1-(4-amino-5-chloro-2-ethoxyphenyl)-5-piperidin-1-ylpentan-2-one.
What is the SMILES notation for 1-(4-amino-5-chloro-2-ethoxyphenyl)-5-piperidin-1-ylpentan-2-one?
The canonical SMILES for 1-(4-amino-5-chloro-2-ethoxyphenyl)-5-piperidin-1-ylpentan-2-one is CCOc1cc(N)c(Cl)cc1CC(=O)CCCN1CCCCC1.
What is the InChIKey of 1-(4-amino-5-chloro-2-ethoxyphenyl)-5-piperidin-1-ylpentan-2-one?
The InChIKey is HRUHXXXWIBCUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O2/c1-2-23-18-13-17(20)16(19)12-14(18)11-15(22)7-6-10-21-8-4-3-5-9-21/h12-13H,2-11,20H2,1H3.
What are the key properties of 1-(4-amino-5-chloro-2-ethoxyphenyl)-5-piperidin-1-ylpentan-2-one?
1-(4-amino-5-chloro-2-ethoxyphenyl)-5-piperidin-1-ylpentan-2-one has a molecular weight of 338.88 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-5-chloro-2-ethoxyphenyl)-5-piperidin-1-ylpentan-2-one is sourced from PubChem (CID 67740745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).