4-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]oxy-3-(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide

About 4-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]oxy-3-(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide

4-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]oxy-3-(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide (PubChem CID 24997196) has the molecular formula C25H41N3O5 and a molecular weight of 463.62 g/mol. Its IUPAC name is 4-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]oxy-3-(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name	4-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]oxy-3-(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide
PubChem CID	24997196
Molecular Formula	C25H41N3O5
Molecular Weight	463.62 g/mol
Exact Mass	463.30
IUPAC Name	4-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]oxy-3-(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide
SMILES	COCCCOc1cc(C(=O)N(C(C)C)[C@@H]2CCCNC2)ccc1OC(C)(C)C(=O)N(C)C
InChI	InChI=1S/C25H41N3O5/c1-18(2)28(20-10-8-13-26-17-20)23(29)19-11-12-21(22(16-19)32-15-9-14-31-7)33-25(3,4)24(30)27(5)6/h11-12,16,18,20,26H,8-10,13-15,17H2,1-7H3/t20-/m1/s1
InChIKey	GUXDCNFYYWBDJU-HXUWFJFHSA-N
XLogP	2.95
TPSA	80.34 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	11
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.62
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]oxy-3-(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide?

The IUPAC name of 4-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]oxy-3-(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide (CID 24997196) is 4-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]oxy-3-(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide.

What is the SMILES notation for 4-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]oxy-3-(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide?

The canonical SMILES for 4-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]oxy-3-(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide is COCCCOc1cc(C(=O)N(C(C)C)[C@@H]2CCCNC2)ccc1OC(C)(C)C(=O)N(C)C.

What is the InChIKey of 4-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]oxy-3-(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide?

The InChIKey is GUXDCNFYYWBDJU-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H41N3O5/c1-18(2)28(20-10-8-13-26-17-20)23(29)19-11-12-21(22(16-19)32-15-9-14-31-7)33-25(3,4)24(30)27(5)6/h11-12,16,18,20,26H,8-10,13-15,17H2,1-7H3/t20-/m1/s1.

What are the key properties of 4-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]oxy-3-(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide?

4-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]oxy-3-(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide has a molecular weight of 463.62 g/mol, XLogP of 2.95, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]oxy-3-(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 24997196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).