[2-(propylamino)phenyl]-(2-propylpiperidin-1-yl)methanone

C18H28N2O — CID 83044104

IUPAC[2-(propylamino)phenyl]-(2-propylpiperidin-1-yl)methanone
SMILESCCCNc1ccccc1C(=O)N1CCCCC1CCC
InChIInChI=1S/C18H28N2O/c1-3-9-15-10-7-8-14-20(15)18(21)16-11-5-6-12-17(16)19-13-4-2/h5-6,11-12,15,19H,3-4,7-10,13-14H2,1-2H3
InChIKeyHMOOHXAQMZDBCT-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.30
Rot. Bonds6

About [2-(propylamino)phenyl]-(2-propylpiperidin-1-yl)methanone

[2-(propylamino)phenyl]-(2-propylpiperidin-1-yl)methanone (PubChem CID 83044104) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is [2-(propylamino)phenyl]-(2-propylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(propylamino)phenyl]-(2-propylpiperidin-1-yl)methanone
PubChem CID83044104
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name[2-(propylamino)phenyl]-(2-propylpiperidin-1-yl)methanone
SMILESCCCNc1ccccc1C(=O)N1CCCCC1CCC
InChIInChI=1S/C18H28N2O/c1-3-9-15-10-7-8-14-20(15)18(21)16-11-5-6-12-17(16)19-13-4-2/h5-6,11-12,15,19H,3-4,7-10,13-14H2,1-2H3
InChIKeyHMOOHXAQMZDBCT-UHFFFAOYSA-N
XLogP4.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-hydroxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 83056508
[2-(ethylamino)phenyl]-(2-ethylazepan-1-yl)methanone
CID 104690846
[2-(ethylamino)phenyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 62479621
phenyl-(2-propylpiperidin-1-yl)methanone
CID 16637839
[6-(propylamino)pyridazin-3-yl]-(2-propylpiperidin-1-yl)methanone
CID 83046126
[5-chloro-2-(ethylamino)phenyl]-(2-propylpiperidin-1-yl)methanone
CID 83045411
[3-(ethylamino)-4-pyridinyl]-(2-propylpiperidin-1-yl)methanone
CID 105071000
[2-(ethylamino)-3-fluorophenyl]-(2-propylpiperidin-1-yl)methanone
CID 83046307
(2-ethylazepan-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 104691766
N-carbamoyl-2-[2-[(2R)-2-(2-hydroxyethyl)piperidine-1-carbonyl]anilino]acetamide
CID 95636491
(2,6-dihydroxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 107689544
[2-(2-chloroethyl)piperidin-1-yl]-(2-chlorophenyl)methanone
CID 63394055

Frequently Asked Questions

What is the IUPAC name of [2-(propylamino)phenyl]-(2-propylpiperidin-1-yl)methanone?
The IUPAC name of [2-(propylamino)phenyl]-(2-propylpiperidin-1-yl)methanone (CID 83044104) is [2-(propylamino)phenyl]-(2-propylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(propylamino)phenyl]-(2-propylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(propylamino)phenyl]-(2-propylpiperidin-1-yl)methanone is CCCNc1ccccc1C(=O)N1CCCCC1CCC.
What is the InChIKey of [2-(propylamino)phenyl]-(2-propylpiperidin-1-yl)methanone?
The InChIKey is HMOOHXAQMZDBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-9-15-10-7-8-14-20(15)18(21)16-11-5-6-12-17(16)19-13-4-2/h5-6,11-12,15,19H,3-4,7-10,13-14H2,1-2H3.
What are the key properties of [2-(propylamino)phenyl]-(2-propylpiperidin-1-yl)methanone?
[2-(propylamino)phenyl]-(2-propylpiperidin-1-yl)methanone has a molecular weight of 288.44 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(propylamino)phenyl]-(2-propylpiperidin-1-yl)methanone is sourced from PubChem (CID 83044104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).