1-(4-amino-5-chloro-2-methoxyphenyl)-5-(4-methoxypiperidin-1-yl)pentan-2-one

C18H27ClN2O3 — CID 67741085

IUPAC1-(4-amino-5-chloro-2-methoxyphenyl)-5-(4-methoxypiperidin-1-yl)pentan-2-one
SMILESCOc1cc(N)c(Cl)cc1CC(=O)CCCN1CCC(OC)CC1
InChIInChI=1S/C18H27ClN2O3/c1-23-15-5-8-21(9-6-15)7-3-4-14(22)10-13-11-16(19)17(20)12-18(13)24-2/h11-12,15H,3-10,20H2,1-2H3
InChIKeyLKDNMFBUYWGIBA-UHFFFAOYSA-N
MW354.88 g/mol
LogP2.93
Rot. Bonds8

About 1-(4-amino-5-chloro-2-methoxyphenyl)-5-(4-methoxypiperidin-1-yl)pentan-2-one

1-(4-amino-5-chloro-2-methoxyphenyl)-5-(4-methoxypiperidin-1-yl)pentan-2-one (PubChem CID 67741085) has the molecular formula C18H27ClN2O3 and a molecular weight of 354.88 g/mol. Its IUPAC name is 1-(4-amino-5-chloro-2-methoxyphenyl)-5-(4-methoxypiperidin-1-yl)pentan-2-one.

Molecular Properties

Compound Name1-(4-amino-5-chloro-2-methoxyphenyl)-5-(4-methoxypiperidin-1-yl)pentan-2-one
PubChem CID67741085
Molecular FormulaC18H27ClN2O3
Molecular Weight354.88 g/mol
Exact Mass354.17
IUPAC Name1-(4-amino-5-chloro-2-methoxyphenyl)-5-(4-methoxypiperidin-1-yl)pentan-2-one
SMILESCOc1cc(N)c(Cl)cc1CC(=O)CCCN1CCC(OC)CC1
InChIInChI=1S/C18H27ClN2O3/c1-23-15-5-8-21(9-6-15)7-3-4-14(22)10-13-11-16(19)17(20)12-18(13)24-2/h11-12,15H,3-10,20H2,1-2H3
InChIKeyLKDNMFBUYWGIBA-UHFFFAOYSA-N
XLogP2.93
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-amino-5-chloro-2-ethoxyphenyl)-5-piperidin-1-ylpentan-2-one
CID 67740745
1-(4-amino-5-chloro-2-methoxyphenyl)-3-[1-(2-methoxyethyl)piperidin-4-yl]propan-2-one
CID 67740846
1-(4-amino-5-chloro-2-methoxyphenyl)-3-(1-methylpiperidin-4-yl)propan-2-one
CID 67740825
1-[5-(4-amino-5-chloro-2-methoxyphenyl)-5-oxopentyl]piperidine-4-carboxamide
CID 19081936
1-(4-amino-5-chloro-2-methoxyphenyl)-3-(1-hexylpiperidin-4-yl)propan-1-one
CID 19081962
4-[3-(4-amino-5-chloro-2-methoxyphenyl)-2-oxopropyl]-1-[2-(dimethylsulfamoylamino)ethyl]piperidine
CID 67740662
N-(4-amino-5-chloro-2-methoxyphenyl)-1-hexylpiperidine-4-carboxamide
CID 13216250
1-(4-amino-5-chloro-2-methoxyphenyl)-3-[1-(2-amino-2-methylsulfonylethyl)piperidin-4-yl]propan-2-one
CID 57001896
1-(4-amino-5-chloro-2-methoxyphenyl)-3-(1-pentylpiperidin-4-yl)propan-1-one;hydrochloride
CID 19081841
11-(4-methoxypiperidin-1-yl)undecan-3-one
CID 171786440
5-(4-amino-5-chloro-2-methoxyphenyl)-1-(4-methylpiperidin-1-yl)pentan-1-one
CID 57166635
4-[3-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]pyrrolidin-1-yl]butanoic acid
CID 18981916

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-5-chloro-2-methoxyphenyl)-5-(4-methoxypiperidin-1-yl)pentan-2-one?
The IUPAC name of 1-(4-amino-5-chloro-2-methoxyphenyl)-5-(4-methoxypiperidin-1-yl)pentan-2-one (CID 67741085) is 1-(4-amino-5-chloro-2-methoxyphenyl)-5-(4-methoxypiperidin-1-yl)pentan-2-one.
What is the SMILES notation for 1-(4-amino-5-chloro-2-methoxyphenyl)-5-(4-methoxypiperidin-1-yl)pentan-2-one?
The canonical SMILES for 1-(4-amino-5-chloro-2-methoxyphenyl)-5-(4-methoxypiperidin-1-yl)pentan-2-one is COc1cc(N)c(Cl)cc1CC(=O)CCCN1CCC(OC)CC1.
What is the InChIKey of 1-(4-amino-5-chloro-2-methoxyphenyl)-5-(4-methoxypiperidin-1-yl)pentan-2-one?
The InChIKey is LKDNMFBUYWGIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O3/c1-23-15-5-8-21(9-6-15)7-3-4-14(22)10-13-11-16(19)17(20)12-18(13)24-2/h11-12,15H,3-10,20H2,1-2H3.
What are the key properties of 1-(4-amino-5-chloro-2-methoxyphenyl)-5-(4-methoxypiperidin-1-yl)pentan-2-one?
1-(4-amino-5-chloro-2-methoxyphenyl)-5-(4-methoxypiperidin-1-yl)pentan-2-one has a molecular weight of 354.88 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-5-chloro-2-methoxyphenyl)-5-(4-methoxypiperidin-1-yl)pentan-2-one is sourced from PubChem (CID 67741085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).