(2-amino-4-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone

C15H21ClN2O2 — CID 61170144

IUPAC(2-amino-4-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone
SMILESCCCOC1CCCN(C(=O)c2ccc(Cl)cc2N)C1
InChIInChI=1S/C15H21ClN2O2/c1-2-8-20-12-4-3-7-18(10-12)15(19)13-6-5-11(16)9-14(13)17/h5-6,9,12H,2-4,7-8,10,17H2,1H3
InChIKeyVDRKYBLMTLKQIX-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.95
Rot. Bonds4

About (2-amino-4-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone

(2-amino-4-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone (PubChem CID 61170144) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is (2-amino-4-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-4-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone
PubChem CID61170144
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name(2-amino-4-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone
SMILESCCCOC1CCCN(C(=O)c2ccc(Cl)cc2N)C1
InChIInChI=1S/C15H21ClN2O2/c1-2-8-20-12-4-3-7-18(10-12)15(19)13-6-5-11(16)9-14(13)17/h5-6,9,12H,2-4,7-8,10,17H2,1H3
InChIKeyVDRKYBLMTLKQIX-UHFFFAOYSA-N
XLogP2.95
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 46029094
(2-amino-5-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 107074802
1-[4-[4-chloro-2-(3-propoxypiperidine-1-carbonyl)phenoxy]piperidin-1-yl]ethanone
CID 45202036
(2-fluoro-5-methylphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 62512361
(3,5-diaminophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 61168973
(4-amino-3-methylphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 61170146
(3-bromo-5-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 103826766
(2-methyl-5-sulfanylphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 107026150
(2,4-dichlorophenyl)-[(3R)-3-[(4-methylphenyl)methoxy]piperidin-1-yl]methanone
CID 93223338
[4-(chloromethyl)phenyl]-(3-propoxypiperidin-1-yl)methanone
CID 61169758
[5-chloro-2-(methylamino)-4-pyridinyl]-(3-propoxypiperidin-1-yl)methanone
CID 114923201
4-(3-propoxypiperidine-1-carbonyl)benzenecarbothioamide
CID 47827117

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone?
The IUPAC name of (2-amino-4-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone (CID 61170144) is (2-amino-4-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone.
What is the SMILES notation for (2-amino-4-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone?
The canonical SMILES for (2-amino-4-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone is CCCOC1CCCN(C(=O)c2ccc(Cl)cc2N)C1.
What is the InChIKey of (2-amino-4-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone?
The InChIKey is VDRKYBLMTLKQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-2-8-20-12-4-3-7-18(10-12)15(19)13-6-5-11(16)9-14(13)17/h5-6,9,12H,2-4,7-8,10,17H2,1H3.
What are the key properties of (2-amino-4-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone?
(2-amino-4-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone has a molecular weight of 296.80 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone is sourced from PubChem (CID 61170144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).