[4-(3-aminopropoxy)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone

C19H25N3O2 — CID 119664011

IUPAC[4-(3-aminopropoxy)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCC(OCCCN)CC2)c2ccccc2n1
InChIInChI=1S/C19H25N3O2/c1-14-13-17(16-5-2-3-6-18(16)21-14)19(23)22-10-7-15(8-11-22)24-12-4-9-20/h2-3,5-6,13,15H,4,7-12,20H2,1H3
InChIKeyRVDGQBBFNYFXLN-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.51
Rot. Bonds5

About [4-(3-aminopropoxy)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone

[4-(3-aminopropoxy)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone (PubChem CID 119664011) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is [4-(3-aminopropoxy)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[4-(3-aminopropoxy)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone
PubChem CID119664011
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name[4-(3-aminopropoxy)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCC(OCCCN)CC2)c2ccccc2n1
InChIInChI=1S/C19H25N3O2/c1-14-13-17(16-5-2-3-6-18(16)21-14)19(23)22-10-7-15(8-11-22)24-12-4-9-20/h2-3,5-6,13,15H,4,7-12,20H2,1H3
InChIKeyRVDGQBBFNYFXLN-UHFFFAOYSA-N
XLogP2.51
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone?
The IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone (CID 119664011) is [4-(3-aminopropoxy)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone.
What is the SMILES notation for [4-(3-aminopropoxy)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone?
The canonical SMILES for [4-(3-aminopropoxy)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone is Cc1cc(C(=O)N2CCC(OCCCN)CC2)c2ccccc2n1.
What is the InChIKey of [4-(3-aminopropoxy)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone?
The InChIKey is RVDGQBBFNYFXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14-13-17(16-5-2-3-6-18(16)21-14)19(23)22-10-7-15(8-11-22)24-12-4-9-20/h2-3,5-6,13,15H,4,7-12,20H2,1H3.
What are the key properties of [4-(3-aminopropoxy)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone?
[4-(3-aminopropoxy)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone has a molecular weight of 327.43 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-aminopropoxy)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone is sourced from PubChem (CID 119664011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).