1-[2-[4-[1-(propylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one

C17H29N3O — CID 82898404

IUPAC1-[2-[4-[1-(propylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one
SMILESCCCNC(C)C1CCN(CCn2ccccc2=O)CC1
InChIInChI=1S/C17H29N3O/c1-3-9-18-15(2)16-7-11-19(12-8-16)13-14-20-10-5-4-6-17(20)21/h4-6,10,15-16,18H,3,7-9,11-14H2,1-2H3
InChIKeyQHIHXMSKMGYDIK-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.95
Rot. Bonds7

About 1-[2-[4-[1-(propylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one

1-[2-[4-[1-(propylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one (PubChem CID 82898404) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[2-[4-[1-(propylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-[1-(propylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one
PubChem CID82898404
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name1-[2-[4-[1-(propylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one
SMILESCCCNC(C)C1CCN(CCn2ccccc2=O)CC1
InChIInChI=1S/C17H29N3O/c1-3-9-18-15(2)16-7-11-19(12-8-16)13-14-20-10-5-4-6-17(20)21/h4-6,10,15-16,18H,3,7-9,11-14H2,1-2H3
InChIKeyQHIHXMSKMGYDIK-UHFFFAOYSA-N
XLogP1.95
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-[4-[1-(propylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one
CID 82897001
1-[2-(1-cyclopentylethylamino)ethyl]pyridin-2-one
CID 81334184
1-[2-[4-[1-(propylamino)ethyl]piperidin-1-yl]ethyl]imidazolidin-2-one
CID 63854326
1-[2-(4-chloropiperidin-1-yl)ethyl]pyridin-2-one
CID 82907199
N-[1-(1-butylpiperidin-4-yl)ethyl]propan-1-amine
CID 63855012
1-[2-[3-[1-(methylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one
CID 82896584
1-[2-[3-(1-aminoethyl)piperidin-1-yl]ethyl]pyridin-2-one
CID 82898009
1-[2-[3-(propylaminomethyl)piperidin-1-yl]ethyl]pyridin-2-one
CID 82896565
1-[4-(butan-2-ylamino)butyl]pyridin-2-one
CID 115714513
1-[2-(4-amino-3-ethylpiperidin-1-yl)ethyl]pyridin-2-one
CID 82907183
N-[1-[1-[2-(diethylamino)ethyl]piperidin-4-yl]ethyl]propan-1-amine
CID 55258766
N-cyclopropyl-3-[4-[1-(propylamino)ethyl]piperidin-1-yl]propanamide
CID 63853098

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[1-(propylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[4-[1-(propylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one (CID 82898404) is 1-[2-[4-[1-(propylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[4-[1-(propylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[4-[1-(propylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one is CCCNC(C)C1CCN(CCn2ccccc2=O)CC1.
What is the InChIKey of 1-[2-[4-[1-(propylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one?
The InChIKey is QHIHXMSKMGYDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-3-9-18-15(2)16-7-11-19(12-8-16)13-14-20-10-5-4-6-17(20)21/h4-6,10,15-16,18H,3,7-9,11-14H2,1-2H3.
What are the key properties of 1-[2-[4-[1-(propylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one?
1-[2-[4-[1-(propylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one has a molecular weight of 291.44 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[1-(propylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one is sourced from PubChem (CID 82898404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).