1-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-3,4-dihydroquinolin-2-one

C20H29N3O2 — CID 119644540

IUPAC1-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-3,4-dihydroquinolin-2-one
SMILESCCNCC1CCN(C(=O)CCN2C(=O)CCc3ccccc32)CC1
InChIInChI=1S/C20H29N3O2/c1-2-21-15-16-9-12-22(13-10-16)19(24)11-14-23-18-6-4-3-5-17(18)7-8-20(23)25/h3-6,16,21H,2,7-15H2,1H3
InChIKeyYYVRKUIEENDRFA-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.20
Rot. Bonds6

About 1-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-3,4-dihydroquinolin-2-one

1-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-3,4-dihydroquinolin-2-one (PubChem CID 119644540) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-3,4-dihydroquinolin-2-one
PubChem CID119644540
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name1-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-3,4-dihydroquinolin-2-one
SMILESCCNCC1CCN(C(=O)CCN2C(=O)CCc3ccccc32)CC1
InChIInChI=1S/C20H29N3O2/c1-2-21-15-16-9-12-22(13-10-16)19(24)11-14-23-18-6-4-3-5-17(18)7-8-20(23)25/h3-6,16,21H,2,7-15H2,1H3
InChIKeyYYVRKUIEENDRFA-UHFFFAOYSA-N
XLogP2.20
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-3,4-dihydroquinolin-2-one (CID 119644540) is 1-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-3,4-dihydroquinolin-2-one is CCNCC1CCN(C(=O)CCN2C(=O)CCc3ccccc32)CC1.
What is the InChIKey of 1-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-3,4-dihydroquinolin-2-one?
The InChIKey is YYVRKUIEENDRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-2-21-15-16-9-12-22(13-10-16)19(24)11-14-23-18-6-4-3-5-17(18)7-8-20(23)25/h3-6,16,21H,2,7-15H2,1H3.
What are the key properties of 1-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-3,4-dihydroquinolin-2-one?
1-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-3,4-dihydroquinolin-2-one has a molecular weight of 343.47 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 119644540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).