1-[5-(4-amino-5-chloro-2-methoxyphenyl)-5-oxopentyl]piperidine-4-carboxamide

C18H26ClN3O3 — CID 19081936

IUPAC1-[5-(4-amino-5-chloro-2-methoxyphenyl)-5-oxopentyl]piperidine-4-carboxamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)CCCCN1CCC(C(N)=O)CC1
InChIInChI=1S/C18H26ClN3O3/c1-25-17-11-15(20)14(19)10-13(17)16(23)4-2-3-7-22-8-5-12(6-9-22)18(21)24/h10-12H,2-9,20H2,1H3,(H2,21,24)
InChIKeyAIYBLQGOZUEHQQ-UHFFFAOYSA-N
MW367.88 g/mol
LogP2.48
Rot. Bonds8

About 1-[5-(4-amino-5-chloro-2-methoxyphenyl)-5-oxopentyl]piperidine-4-carboxamide

1-[5-(4-amino-5-chloro-2-methoxyphenyl)-5-oxopentyl]piperidine-4-carboxamide (PubChem CID 19081936) has the molecular formula C18H26ClN3O3 and a molecular weight of 367.88 g/mol. Its IUPAC name is 1-[5-(4-amino-5-chloro-2-methoxyphenyl)-5-oxopentyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(4-amino-5-chloro-2-methoxyphenyl)-5-oxopentyl]piperidine-4-carboxamide
PubChem CID19081936
Molecular FormulaC18H26ClN3O3
Molecular Weight367.88 g/mol
Exact Mass367.17
IUPAC Name1-[5-(4-amino-5-chloro-2-methoxyphenyl)-5-oxopentyl]piperidine-4-carboxamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)CCCCN1CCC(C(N)=O)CC1
InChIInChI=1S/C18H26ClN3O3/c1-25-17-11-15(20)14(19)10-13(17)16(23)4-2-3-7-22-8-5-12(6-9-22)18(21)24/h10-12H,2-9,20H2,1H3,(H2,21,24)
InChIKeyAIYBLQGOZUEHQQ-UHFFFAOYSA-N
XLogP2.48
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[5-[4-amino-5-chloro-2-[(3,5-dimethoxyphenyl)methoxy]phenyl]-5-oxopentyl]piperidine-4-carboxamide;hydrochloride
CID 19081946
1-(4-amino-5-chloro-2-methoxyphenyl)-3-(1-hexylpiperidin-4-yl)propan-1-one
CID 19081962
1-(4-amino-5-chloro-2-methoxyphenyl)-3-(1-pentylpiperidin-4-yl)propan-1-one;hydrochloride
CID 19081841
1-(4-amino-5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide;hydrochloride
CID 119673960
1-[2-(4-amino-5-chloro-2-methoxybenzoyl)oxyethyl]piperidine-4-carboxylic acid
CID 11696133
1-(4-amino-5-chloro-2-propoxyphenyl)-5-piperidin-1-ylpentan-1-one
CID 19081864
N-(4-amino-5-chloro-2-methoxyphenyl)-1-hexylpiperidine-4-carboxamide
CID 13216250
N-[3-[4-[3-(4-amino-5-chloro-2-methoxyphenyl)-3-oxopropyl]piperidin-1-yl]propyl]-4-methoxybenzenesulfonamide
CID 162649188
4-amino-5-chloro-2-methoxy-N-[[1-[6-(1-methylindol-3-yl)-6-oxohexyl]piperidin-4-yl]methyl]benzamide
CID 10029792
1-[4-amino-5-chloro-2-[(3,5-dimethylphenyl)methoxy]phenyl]-5-piperidin-1-ylpentan-1-one
CID 19081989
4-amino-5-chloro-N-[[1-[6-(3,4-difluorophenyl)-6-oxohexyl]piperidin-4-yl]methyl]-2-methoxybenzamide
CID 54574047
1-(4-amino-5-chloro-2-methoxyphenyl)-3-[1-[(2-methylcyclohexyl)methyl]piperidin-4-yl]propan-1-one
CID 118734515

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-amino-5-chloro-2-methoxyphenyl)-5-oxopentyl]piperidine-4-carboxamide?
The IUPAC name of 1-[5-(4-amino-5-chloro-2-methoxyphenyl)-5-oxopentyl]piperidine-4-carboxamide (CID 19081936) is 1-[5-(4-amino-5-chloro-2-methoxyphenyl)-5-oxopentyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(4-amino-5-chloro-2-methoxyphenyl)-5-oxopentyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[5-(4-amino-5-chloro-2-methoxyphenyl)-5-oxopentyl]piperidine-4-carboxamide is COc1cc(N)c(Cl)cc1C(=O)CCCCN1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[5-(4-amino-5-chloro-2-methoxyphenyl)-5-oxopentyl]piperidine-4-carboxamide?
The InChIKey is AIYBLQGOZUEHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O3/c1-25-17-11-15(20)14(19)10-13(17)16(23)4-2-3-7-22-8-5-12(6-9-22)18(21)24/h10-12H,2-9,20H2,1H3,(H2,21,24).
What are the key properties of 1-[5-(4-amino-5-chloro-2-methoxyphenyl)-5-oxopentyl]piperidine-4-carboxamide?
1-[5-(4-amino-5-chloro-2-methoxyphenyl)-5-oxopentyl]piperidine-4-carboxamide has a molecular weight of 367.88 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-amino-5-chloro-2-methoxyphenyl)-5-oxopentyl]piperidine-4-carboxamide is sourced from PubChem (CID 19081936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).