(2-amino-3-methoxyphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone

C16H24N2O2 — CID 103504954

IUPAC(2-amino-3-methoxyphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCOc1cccc(C(=O)N2CCC(C(C)C)CC2)c1N
InChIInChI=1S/C16H24N2O2/c1-11(2)12-7-9-18(10-8-12)16(19)13-5-4-6-14(20-3)15(13)17/h4-6,11-12H,7-10,17H2,1-3H3
InChIKeyDWSSJIAYMFJWCD-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.79
Rot. Bonds3

About (2-amino-3-methoxyphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone

(2-amino-3-methoxyphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone (PubChem CID 103504954) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2-amino-3-methoxyphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-3-methoxyphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
PubChem CID103504954
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(2-amino-3-methoxyphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCOc1cccc(C(=O)N2CCC(C(C)C)CC2)c1N
InChIInChI=1S/C16H24N2O2/c1-11(2)12-7-9-18(10-8-12)16(19)13-5-4-6-14(20-3)15(13)17/h4-6,11-12H,7-10,17H2,1-3H3
InChIKeyDWSSJIAYMFJWCD-UHFFFAOYSA-N
XLogP2.79
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.79
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

(2-amino-3-methoxyphenyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106835115
(2-amino-3-methoxyphenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102954888
[4-(1-aminoethyl)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone
CID 63597089
(2-amino-3-methoxyphenyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone
CID 103530159
(2-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 21025470
(3-amino-2-bromophenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 113416735
[4-(1-aminoethyl)piperidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone
CID 65433856
(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 5149560
methyl 4-(2-amino-3-methoxybenzoyl)morpholine-2-carboxylate
CID 115533238
(4-chloropiperidin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone
CID 63390939
(4-amino-3-methoxyphenyl)-(4-propan-2-ylazepan-1-yl)methanone
CID 104782972
(2,4-diaminophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504947

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-methoxyphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (2-amino-3-methoxyphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone (CID 103504954) is (2-amino-3-methoxyphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-amino-3-methoxyphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (2-amino-3-methoxyphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone is COc1cccc(C(=O)N2CCC(C(C)C)CC2)c1N.
What is the InChIKey of (2-amino-3-methoxyphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The InChIKey is DWSSJIAYMFJWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11(2)12-7-9-18(10-8-12)16(19)13-5-4-6-14(20-3)15(13)17/h4-6,11-12H,7-10,17H2,1-3H3.
What are the key properties of (2-amino-3-methoxyphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
(2-amino-3-methoxyphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone has a molecular weight of 276.38 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-methoxyphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 103504954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).