(4-amino-5-chloro-2-methoxyphenyl)-(3-aminopiperidin-1-yl)methanone

C13H18ClN3O2 — CID 122080175

IUPAC(4-amino-5-chloro-2-methoxyphenyl)-(3-aminopiperidin-1-yl)methanone
SMILESCOc1cc(N)c(Cl)cc1C(=O)N1CCCC(N)C1
InChIInChI=1S/C13H18ClN3O2/c1-19-12-6-11(16)10(14)5-9(12)13(18)17-4-2-3-8(15)7-17/h5-6,8H,2-4,7,15-16H2,1H3
InChIKeyWPFBZVWVGJFUBQ-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.49
Rot. Bonds2

About (4-amino-5-chloro-2-methoxyphenyl)-(3-aminopiperidin-1-yl)methanone

(4-amino-5-chloro-2-methoxyphenyl)-(3-aminopiperidin-1-yl)methanone (PubChem CID 122080175) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is (4-amino-5-chloro-2-methoxyphenyl)-(3-aminopiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-5-chloro-2-methoxyphenyl)-(3-aminopiperidin-1-yl)methanone
PubChem CID122080175
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name(4-amino-5-chloro-2-methoxyphenyl)-(3-aminopiperidin-1-yl)methanone
SMILESCOc1cc(N)c(Cl)cc1C(=O)N1CCCC(N)C1
InChIInChI=1S/C13H18ClN3O2/c1-19-12-6-11(16)10(14)5-9(12)13(18)17-4-2-3-8(15)7-17/h5-6,8H,2-4,7,15-16H2,1H3
InChIKeyWPFBZVWVGJFUBQ-UHFFFAOYSA-N
XLogP1.49
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-amino-5-chloro-2-methoxyphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 119781775
N-[[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-3-yl]methyl]acetamide
CID 119746036
N-[[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-3-yl]methyl]acetamide;hydrochloride
CID 119746035
(4-amino-5-chloro-2-methoxyphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 119682788
(4-amino-5-chloro-2-methoxyphenyl)-piperidin-1-ylmethanone
CID 110465007
(4-amino-5-chloro-2-methoxyphenyl)-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119875833
(4-amino-5-chloro-2-methoxyphenyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone
CID 119781937
N-[[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-3-yl]methyl]butanamide
CID 119761665
(4-amino-5-chloro-2-methoxyphenyl)-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone;dihydrochloride
CID 119867680
(3-aminopiperidin-1-yl)-(5-chloro-2-methoxyphenyl)methanone;hydrochloride
CID 119380845
(4-amino-5-chloro-2-methoxyphenyl)-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119883779
(4,5-dichloro-2-methoxyphenyl)-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 97221393

Frequently Asked Questions

What is the IUPAC name of (4-amino-5-chloro-2-methoxyphenyl)-(3-aminopiperidin-1-yl)methanone?
The IUPAC name of (4-amino-5-chloro-2-methoxyphenyl)-(3-aminopiperidin-1-yl)methanone (CID 122080175) is (4-amino-5-chloro-2-methoxyphenyl)-(3-aminopiperidin-1-yl)methanone.
What is the SMILES notation for (4-amino-5-chloro-2-methoxyphenyl)-(3-aminopiperidin-1-yl)methanone?
The canonical SMILES for (4-amino-5-chloro-2-methoxyphenyl)-(3-aminopiperidin-1-yl)methanone is COc1cc(N)c(Cl)cc1C(=O)N1CCCC(N)C1.
What is the InChIKey of (4-amino-5-chloro-2-methoxyphenyl)-(3-aminopiperidin-1-yl)methanone?
The InChIKey is WPFBZVWVGJFUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-19-12-6-11(16)10(14)5-9(12)13(18)17-4-2-3-8(15)7-17/h5-6,8H,2-4,7,15-16H2,1H3.
What are the key properties of (4-amino-5-chloro-2-methoxyphenyl)-(3-aminopiperidin-1-yl)methanone?
(4-amino-5-chloro-2-methoxyphenyl)-(3-aminopiperidin-1-yl)methanone has a molecular weight of 283.76 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-chloro-2-methoxyphenyl)-(3-aminopiperidin-1-yl)methanone is sourced from PubChem (CID 122080175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).