(4-ethylphenyl)-[4-(propylamino)piperidin-1-yl]methanone

C17H26N2O — CID 60819285

IUPAC(4-ethylphenyl)-[4-(propylamino)piperidin-1-yl]methanone
SMILESCCCNC1CCN(C(=O)c2ccc(CC)cc2)CC1
InChIInChI=1S/C17H26N2O/c1-3-11-18-16-9-12-19(13-10-16)17(20)15-7-5-14(4-2)6-8-15/h5-8,16,18H,3-4,9-13H2,1-2H3
InChIKeySDBABIIPEAFRBK-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.85
Rot. Bonds5

About (4-ethylphenyl)-[4-(propylamino)piperidin-1-yl]methanone

(4-ethylphenyl)-[4-(propylamino)piperidin-1-yl]methanone (PubChem CID 60819285) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is (4-ethylphenyl)-[4-(propylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethylphenyl)-[4-(propylamino)piperidin-1-yl]methanone
PubChem CID60819285
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name(4-ethylphenyl)-[4-(propylamino)piperidin-1-yl]methanone
SMILESCCCNC1CCN(C(=O)c2ccc(CC)cc2)CC1
InChIInChI=1S/C17H26N2O/c1-3-11-18-16-9-12-19(13-10-16)17(20)15-7-5-14(4-2)6-8-15/h5-8,16,18H,3-4,9-13H2,1-2H3
InChIKeySDBABIIPEAFRBK-UHFFFAOYSA-N
XLogP2.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(propylamino)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 104668815
(3,5-difluorophenyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 60818593
[4-(difluoromethyl)piperidin-1-yl]-(4-ethylphenyl)methanone
CID 118929982
[4-(dipropylamino)piperidin-1-yl]-(4-ethylphenyl)methanone;ethane
CID 144801733
(4-hydroxy-2-methylphenyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 107670478
phenyl-[4-(2-phenylethylamino)piperidin-1-yl]methanone
CID 142654870
[4-(ethylamino)-3-methylpiperidin-1-yl]-(4-ethylphenyl)methanone
CID 114498542
N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-4-ethylbenzenesulfonamide
CID 108565613
cyclopentyl-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone
CID 84546397
N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-4-ethylbenzenesulfonamide
CID 108567057
(2-hydroxy-3-methylphenyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 60819959
4-(propylamino)piperidine-1-carbothioic S-acid
CID 143221289

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-[4-(propylamino)piperidin-1-yl]methanone?
The IUPAC name of (4-ethylphenyl)-[4-(propylamino)piperidin-1-yl]methanone (CID 60819285) is (4-ethylphenyl)-[4-(propylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (4-ethylphenyl)-[4-(propylamino)piperidin-1-yl]methanone?
The canonical SMILES for (4-ethylphenyl)-[4-(propylamino)piperidin-1-yl]methanone is CCCNC1CCN(C(=O)c2ccc(CC)cc2)CC1.
What is the InChIKey of (4-ethylphenyl)-[4-(propylamino)piperidin-1-yl]methanone?
The InChIKey is SDBABIIPEAFRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-11-18-16-9-12-19(13-10-16)17(20)15-7-5-14(4-2)6-8-15/h5-8,16,18H,3-4,9-13H2,1-2H3.
What are the key properties of (4-ethylphenyl)-[4-(propylamino)piperidin-1-yl]methanone?
(4-ethylphenyl)-[4-(propylamino)piperidin-1-yl]methanone has a molecular weight of 274.41 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-[4-(propylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 60819285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).