N-[2-(dimethylamino)ethyl]-3-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]oxy-N-methylbenzamide

C26H37N3O2 — CID 23723465

IUPACN-[2-(dimethylamino)ethyl]-3-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]oxy-N-methylbenzamide
SMILESCc1ccc(CN2CCC(Oc3cccc(C(=O)N(C)CCN(C)C)c3)CC2)cc1C
InChIInChI=1S/C26H37N3O2/c1-20-9-10-22(17-21(20)2)19-29-13-11-24(12-14-29)31-25-8-6-7-23(18-25)26(30)28(5)16-15-27(3)4/h6-10,17-18,24H,11-16,19H2,1-5H3
InChIKeySSSPDBFLSFZWBU-UHFFFAOYSA-N
MW423.60 g/mol
LogP3.98
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-3-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]oxy-N-methylbenzamide

N-[2-(dimethylamino)ethyl]-3-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]oxy-N-methylbenzamide (PubChem CID 23723465) has the molecular formula C26H37N3O2 and a molecular weight of 423.60 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]oxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]oxy-N-methylbenzamide
PubChem CID23723465
Molecular FormulaC26H37N3O2
Molecular Weight423.60 g/mol
Exact Mass423.29
IUPAC NameN-[2-(dimethylamino)ethyl]-3-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]oxy-N-methylbenzamide
SMILESCc1ccc(CN2CCC(Oc3cccc(C(=O)N(C)CCN(C)C)c3)CC2)cc1C
InChIInChI=1S/C26H37N3O2/c1-20-9-10-22(17-21(20)2)19-29-13-11-24(12-14-29)31-25-8-6-7-23(18-25)26(30)28(5)16-15-27(3)4/h6-10,17-18,24H,11-16,19H2,1-5H3
InChIKeySSSPDBFLSFZWBU-UHFFFAOYSA-N
XLogP3.98
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.60
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]oxy-N-methylbenzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]oxy-N-methylbenzamide (CID 23723465) is N-[2-(dimethylamino)ethyl]-3-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]oxy-N-methylbenzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]oxy-N-methylbenzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]oxy-N-methylbenzamide is Cc1ccc(CN2CCC(Oc3cccc(C(=O)N(C)CCN(C)C)c3)CC2)cc1C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]oxy-N-methylbenzamide?
The InChIKey is SSSPDBFLSFZWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O2/c1-20-9-10-22(17-21(20)2)19-29-13-11-24(12-14-29)31-25-8-6-7-23(18-25)26(30)28(5)16-15-27(3)4/h6-10,17-18,24H,11-16,19H2,1-5H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-3-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]oxy-N-methylbenzamide?
N-[2-(dimethylamino)ethyl]-3-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]oxy-N-methylbenzamide has a molecular weight of 423.60 g/mol, XLogP of 3.98, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]oxy-N-methylbenzamide is sourced from PubChem (CID 23723465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).