[5-amino-2-(dipropylamino)phenyl]-piperidin-1-ylmethanone

C18H29N3O — CID 91683043

IUPAC[5-amino-2-(dipropylamino)phenyl]-piperidin-1-ylmethanone
SMILESCCCN(CCC)c1ccc(N)cc1C(=O)N1CCCCC1
InChIInChI=1S/C18H29N3O/c1-3-10-20(11-4-2)17-9-8-15(19)14-16(17)18(22)21-12-6-5-7-13-21/h8-9,14H,3-7,10-13,19H2,1-2H3
InChIKeyZLVPMDCJGGXAGZ-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.52
Rot. Bonds6

About [5-amino-2-(dipropylamino)phenyl]-piperidin-1-ylmethanone

[5-amino-2-(dipropylamino)phenyl]-piperidin-1-ylmethanone (PubChem CID 91683043) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is [5-amino-2-(dipropylamino)phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-amino-2-(dipropylamino)phenyl]-piperidin-1-ylmethanone
PubChem CID91683043
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name[5-amino-2-(dipropylamino)phenyl]-piperidin-1-ylmethanone
SMILESCCCN(CCC)c1ccc(N)cc1C(=O)N1CCCCC1
InChIInChI=1S/C18H29N3O/c1-3-10-20(11-4-2)17-9-8-15(19)14-16(17)18(22)21-12-6-5-7-13-21/h8-9,14H,3-7,10-13,19H2,1-2H3
InChIKeyZLVPMDCJGGXAGZ-UHFFFAOYSA-N
XLogP3.52
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[5-amino-2-(dipropylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 91683050
[5-amino-2-(dipropylamino)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 91683046
[5-amino-2-(dipropylamino)phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 100805150
[5-amino-2-(dimethylamino)phenyl]-piperidin-1-ylmethanone
CID 61091481
[5-amino-2-(diethylamino)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 91683055
[5-amino-2-(hydroxymethyl)phenyl]-piperidin-1-ylmethanone
CID 102538189
2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 120640613
[5-amino-2-(methylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 100637847
(2,4-diaminophenyl)-pyrrolidin-1-ylmethanone
CID 61091444
[5-amino-2-(dimethylamino)phenyl]-morpholin-4-ylmethanone
CID 16639867
(5-amino-2-chlorophenyl)-(4-propylpiperazin-1-yl)methanone
CID 16789612
(5-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 61289642

Frequently Asked Questions

What is the IUPAC name of [5-amino-2-(dipropylamino)phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [5-amino-2-(dipropylamino)phenyl]-piperidin-1-ylmethanone (CID 91683043) is [5-amino-2-(dipropylamino)phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-amino-2-(dipropylamino)phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-amino-2-(dipropylamino)phenyl]-piperidin-1-ylmethanone is CCCN(CCC)c1ccc(N)cc1C(=O)N1CCCCC1.
What is the InChIKey of [5-amino-2-(dipropylamino)phenyl]-piperidin-1-ylmethanone?
The InChIKey is ZLVPMDCJGGXAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-3-10-20(11-4-2)17-9-8-15(19)14-16(17)18(22)21-12-6-5-7-13-21/h8-9,14H,3-7,10-13,19H2,1-2H3.
What are the key properties of [5-amino-2-(dipropylamino)phenyl]-piperidin-1-ylmethanone?
[5-amino-2-(dipropylamino)phenyl]-piperidin-1-ylmethanone has a molecular weight of 303.45 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-2-(dipropylamino)phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 91683043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).