[5-amino-2-[di(propan-2-yl)amino]phenyl]-(3,5-dimethylpiperidin-1-yl)methanone

C20H33N3O — CID 91683039

IUPAC[5-amino-2-[di(propan-2-yl)amino]phenyl]-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)CN(C(=O)c2cc(N)ccc2N(C(C)C)C(C)C)C1
InChIInChI=1S/C20H33N3O/c1-13(2)23(14(3)4)19-8-7-17(21)10-18(19)20(24)22-11-15(5)9-16(6)12-22/h7-8,10,13-16H,9,11-12,21H2,1-6H3
InChIKeyCNRIYIYOCYWCKV-UHFFFAOYSA-N
MW331.50 g/mol
LogP4.01
Rot. Bonds4

About [5-amino-2-[di(propan-2-yl)amino]phenyl]-(3,5-dimethylpiperidin-1-yl)methanone

[5-amino-2-[di(propan-2-yl)amino]phenyl]-(3,5-dimethylpiperidin-1-yl)methanone (PubChem CID 91683039) has the molecular formula C20H33N3O and a molecular weight of 331.50 g/mol. Its IUPAC name is [5-amino-2-[di(propan-2-yl)amino]phenyl]-(3,5-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-amino-2-[di(propan-2-yl)amino]phenyl]-(3,5-dimethylpiperidin-1-yl)methanone
PubChem CID91683039
Molecular FormulaC20H33N3O
Molecular Weight331.50 g/mol
Exact Mass331.26
IUPAC Name[5-amino-2-[di(propan-2-yl)amino]phenyl]-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)CN(C(=O)c2cc(N)ccc2N(C(C)C)C(C)C)C1
InChIInChI=1S/C20H33N3O/c1-13(2)23(14(3)4)19-8-7-17(21)10-18(19)20(24)22-11-15(5)9-16(6)12-22/h7-8,10,13-16H,9,11-12,21H2,1-6H3
InChIKeyCNRIYIYOCYWCKV-UHFFFAOYSA-N
XLogP4.01
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[5-amino-2-(diethylamino)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 91683055
(3-aminophenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 16795093
[5-amino-2-(dimethylamino)phenyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916446
[5-amino-2-(dimethylamino)phenyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63165923
[5-amino-2-(dipropylamino)phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 100805150
[5-amino-2-(dipropylamino)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 91683046
[5-amino-2-(dimethylamino)phenyl]-piperidin-1-ylmethanone
CID 61091481
(5-amino-2-fluorophenyl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 79188191
[5-amino-2-(dimethylamino)phenyl]-morpholin-4-ylmethanone
CID 16639867
(5-amino-2,4-dichlorophenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 100804437
[5-amino-2-(dipropylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 91683050
(2R)-2-(3-aminophenoxy)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propan-1-one
CID 100616662

Frequently Asked Questions

What is the IUPAC name of [5-amino-2-[di(propan-2-yl)amino]phenyl]-(3,5-dimethylpiperidin-1-yl)methanone?
The IUPAC name of [5-amino-2-[di(propan-2-yl)amino]phenyl]-(3,5-dimethylpiperidin-1-yl)methanone (CID 91683039) is [5-amino-2-[di(propan-2-yl)amino]phenyl]-(3,5-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-amino-2-[di(propan-2-yl)amino]phenyl]-(3,5-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for [5-amino-2-[di(propan-2-yl)amino]phenyl]-(3,5-dimethylpiperidin-1-yl)methanone is CC1CC(C)CN(C(=O)c2cc(N)ccc2N(C(C)C)C(C)C)C1.
What is the InChIKey of [5-amino-2-[di(propan-2-yl)amino]phenyl]-(3,5-dimethylpiperidin-1-yl)methanone?
The InChIKey is CNRIYIYOCYWCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O/c1-13(2)23(14(3)4)19-8-7-17(21)10-18(19)20(24)22-11-15(5)9-16(6)12-22/h7-8,10,13-16H,9,11-12,21H2,1-6H3.
What are the key properties of [5-amino-2-[di(propan-2-yl)amino]phenyl]-(3,5-dimethylpiperidin-1-yl)methanone?
[5-amino-2-[di(propan-2-yl)amino]phenyl]-(3,5-dimethylpiperidin-1-yl)methanone has a molecular weight of 331.50 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-2-[di(propan-2-yl)amino]phenyl]-(3,5-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 91683039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).