[3,5-dimethyl-4-(propylamino)phenyl]-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone

C26H37N3O — CID 102052463

IUPAC[3,5-dimethyl-4-(propylamino)phenyl]-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone
SMILESCCCNc1c(C)cc(C(=O)N2CCC(N(C)CCc3ccccc3)CC2)cc1C
InChIInChI=1S/C26H37N3O/c1-5-14-27-25-20(2)18-23(19-21(25)3)26(30)29-16-12-24(13-17-29)28(4)15-11-22-9-7-6-8-10-22/h6-10,18-19,24,27H,5,11-17H2,1-4H3
InChIKeyWOLLVYUIIPQOKE-UHFFFAOYSA-N
MW407.60 g/mol
LogP4.90
Rot. Bonds8

About [3,5-dimethyl-4-(propylamino)phenyl]-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone

[3,5-dimethyl-4-(propylamino)phenyl]-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone (PubChem CID 102052463) has the molecular formula C26H37N3O and a molecular weight of 407.60 g/mol. Its IUPAC name is [3,5-dimethyl-4-(propylamino)phenyl]-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3,5-dimethyl-4-(propylamino)phenyl]-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone
PubChem CID102052463
Molecular FormulaC26H37N3O
Molecular Weight407.60 g/mol
Exact Mass407.29
IUPAC Name[3,5-dimethyl-4-(propylamino)phenyl]-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone
SMILESCCCNc1c(C)cc(C(=O)N2CCC(N(C)CCc3ccccc3)CC2)cc1C
InChIInChI=1S/C26H37N3O/c1-5-14-27-25-20(2)18-23(19-21(25)3)26(30)29-16-12-24(13-17-29)28(4)15-11-22-9-7-6-8-10-22/h6-10,18-19,24,27H,5,11-17H2,1-4H3
InChIKeyWOLLVYUIIPQOKE-UHFFFAOYSA-N
XLogP4.90
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.60
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-hydroxyphenyl)phenyl]-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone
CID 23284910
5-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 23284933
1,1,3-trimethyl-3-[4-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]phenyl]urea;hydrochloride
CID 23285019
[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]-[4-(3-methylpyrazol-1-yl)phenyl]methanone
CID 23285129
1-tert-butyl-1-[4-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]phenyl]urea;hydrochloride
CID 70103958
[2-methoxy-3-methyl-6-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]phenyl]urea;hydrochloride
CID 70102481
2-(dimethylamino)-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone;dihydrochloride
CID 23285051
[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]-(6-pyrrol-1-yl-3-pyridinyl)methanone
CID 23285008
2-amino-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone;dihydrochloride
CID 23285133
2-[[1-(4-methoxy-3,5-dimethylbenzoyl)piperidin-4-yl]-methylamino]acetic acid
CID 138001992
(4-amino-2-chlorophenyl)-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone;oxalic acid
CID 23284988
[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]-(5-nitrothiophen-2-yl)methanone
CID 23284984

Frequently Asked Questions

What is the IUPAC name of [3,5-dimethyl-4-(propylamino)phenyl]-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone?
The IUPAC name of [3,5-dimethyl-4-(propylamino)phenyl]-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone (CID 102052463) is [3,5-dimethyl-4-(propylamino)phenyl]-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone.
What is the SMILES notation for [3,5-dimethyl-4-(propylamino)phenyl]-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone?
The canonical SMILES for [3,5-dimethyl-4-(propylamino)phenyl]-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone is CCCNc1c(C)cc(C(=O)N2CCC(N(C)CCc3ccccc3)CC2)cc1C.
What is the InChIKey of [3,5-dimethyl-4-(propylamino)phenyl]-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone?
The InChIKey is WOLLVYUIIPQOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O/c1-5-14-27-25-20(2)18-23(19-21(25)3)26(30)29-16-12-24(13-17-29)28(4)15-11-22-9-7-6-8-10-22/h6-10,18-19,24,27H,5,11-17H2,1-4H3.
What are the key properties of [3,5-dimethyl-4-(propylamino)phenyl]-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone?
[3,5-dimethyl-4-(propylamino)phenyl]-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone has a molecular weight of 407.60 g/mol, XLogP of 4.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dimethyl-4-(propylamino)phenyl]-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone is sourced from PubChem (CID 102052463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).