N-[3-[[4-[4-(dimethylamino)phenyl]piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide

C25H33N3O — CID 23504860

IUPACN-[3-[[4-[4-(dimethylamino)phenyl]piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)C(CN1CCC(c3ccc(N(C)C)cc3)CC1)CC2
InChIInChI=1S/C25H33N3O/c1-18(29)26-23-9-6-21-4-5-22(25(21)16-23)17-28-14-12-20(13-15-28)19-7-10-24(11-8-19)27(2)3/h6-11,16,20,22H,4-5,12-15,17H2,1-3H3,(H,26,29)
InChIKeyVIGDAHQHFPNXNR-UHFFFAOYSA-N
MW391.56 g/mol
LogP4.62
Rot. Bonds5

About N-[3-[[4-[4-(dimethylamino)phenyl]piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide

N-[3-[[4-[4-(dimethylamino)phenyl]piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide (PubChem CID 23504860) has the molecular formula C25H33N3O and a molecular weight of 391.56 g/mol. Its IUPAC name is N-[3-[[4-[4-(dimethylamino)phenyl]piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-[[4-[4-(dimethylamino)phenyl]piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide
PubChem CID23504860
Molecular FormulaC25H33N3O
Molecular Weight391.56 g/mol
Exact Mass391.26
IUPAC NameN-[3-[[4-[4-(dimethylamino)phenyl]piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)C(CN1CCC(c3ccc(N(C)C)cc3)CC1)CC2
InChIInChI=1S/C25H33N3O/c1-18(29)26-23-9-6-21-4-5-22(25(21)16-23)17-28-14-12-20(13-15-28)19-7-10-24(11-8-19)27(2)3/h6-11,16,20,22H,4-5,12-15,17H2,1-3H3,(H,26,29)
InChIKeyVIGDAHQHFPNXNR-UHFFFAOYSA-N
XLogP4.62
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-[3-[[4-[4-(dimethylamino)phenyl]piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide?
The IUPAC name of N-[3-[[4-[4-(dimethylamino)phenyl]piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide (CID 23504860) is N-[3-[[4-[4-(dimethylamino)phenyl]piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide.
What is the SMILES notation for N-[3-[[4-[4-(dimethylamino)phenyl]piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide?
The canonical SMILES for N-[3-[[4-[4-(dimethylamino)phenyl]piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide is CC(=O)Nc1ccc2c(c1)C(CN1CCC(c3ccc(N(C)C)cc3)CC1)CC2.
What is the InChIKey of N-[3-[[4-[4-(dimethylamino)phenyl]piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide?
The InChIKey is VIGDAHQHFPNXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O/c1-18(29)26-23-9-6-21-4-5-22(25(21)16-23)17-28-14-12-20(13-15-28)19-7-10-24(11-8-19)27(2)3/h6-11,16,20,22H,4-5,12-15,17H2,1-3H3,(H,26,29).
What are the key properties of N-[3-[[4-[4-(dimethylamino)phenyl]piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide?
N-[3-[[4-[4-(dimethylamino)phenyl]piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide has a molecular weight of 391.56 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-[4-(dimethylamino)phenyl]piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide is sourced from PubChem (CID 23504860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).