[4-[[1-[4-(dimethylamino)phenyl]propan-2-yl-propylamino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone

C25H42N4O2 — CID 15546289

IUPAC[4-[[1-[4-(dimethylamino)phenyl]propan-2-yl-propylamino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone
SMILESCCCN(CC1CCN(C(=O)N2CCOCC2)CC1)C(C)Cc1ccc(N(C)C)cc1
InChIInChI=1S/C25H42N4O2/c1-5-12-29(21(2)19-22-6-8-24(9-7-22)26(3)4)20-23-10-13-27(14-11-23)25(30)28-15-17-31-18-16-28/h6-9,21,23H,5,10-20H2,1-4H3
InChIKeyDWVPWNNPUAMHHH-UHFFFAOYSA-N
MW430.64 g/mol
LogP3.56
Rot. Bonds8

About [4-[[1-[4-(dimethylamino)phenyl]propan-2-yl-propylamino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone

[4-[[1-[4-(dimethylamino)phenyl]propan-2-yl-propylamino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone (PubChem CID 15546289) has the molecular formula C25H42N4O2 and a molecular weight of 430.64 g/mol. Its IUPAC name is [4-[[1-[4-(dimethylamino)phenyl]propan-2-yl-propylamino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[[1-[4-(dimethylamino)phenyl]propan-2-yl-propylamino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone
PubChem CID15546289
Molecular FormulaC25H42N4O2
Molecular Weight430.64 g/mol
Exact Mass430.33
IUPAC Name[4-[[1-[4-(dimethylamino)phenyl]propan-2-yl-propylamino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone
SMILESCCCN(CC1CCN(C(=O)N2CCOCC2)CC1)C(C)Cc1ccc(N(C)C)cc1
InChIInChI=1S/C25H42N4O2/c1-5-12-29(21(2)19-22-6-8-24(9-7-22)26(3)4)20-23-10-13-27(14-11-23)25(30)28-15-17-31-18-16-28/h6-9,21,23H,5,10-20H2,1-4H3
InChIKeyDWVPWNNPUAMHHH-UHFFFAOYSA-N
XLogP3.56
TPSA39.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.64
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[[1-[4-(dimethylamino)phenyl]propan-2-yl-propylamino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[[1-[4-(dimethylamino)phenyl]propan-2-yl-propylamino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone (CID 15546289) is [4-[[1-[4-(dimethylamino)phenyl]propan-2-yl-propylamino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[[1-[4-(dimethylamino)phenyl]propan-2-yl-propylamino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[[1-[4-(dimethylamino)phenyl]propan-2-yl-propylamino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone is CCCN(CC1CCN(C(=O)N2CCOCC2)CC1)C(C)Cc1ccc(N(C)C)cc1.
What is the InChIKey of [4-[[1-[4-(dimethylamino)phenyl]propan-2-yl-propylamino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is DWVPWNNPUAMHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42N4O2/c1-5-12-29(21(2)19-22-6-8-24(9-7-22)26(3)4)20-23-10-13-27(14-11-23)25(30)28-15-17-31-18-16-28/h6-9,21,23H,5,10-20H2,1-4H3.
What are the key properties of [4-[[1-[4-(dimethylamino)phenyl]propan-2-yl-propylamino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone?
[4-[[1-[4-(dimethylamino)phenyl]propan-2-yl-propylamino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 430.64 g/mol, XLogP of 3.56, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-[4-(dimethylamino)phenyl]propan-2-yl-propylamino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 15546289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).