4-methoxy-3-(3-methoxypropoxy)-N-[(3S)-piperidin-3-yl]-N-propan-2-ylbenzamide

C20H32N2O4 — CID 24998743

IUPAC4-methoxy-3-(3-methoxypropoxy)-N-[(3S)-piperidin-3-yl]-N-propan-2-ylbenzamide
SMILESCOCCCOc1cc(C(=O)N(C(C)C)[C@H]2CCCNC2)ccc1OC
InChIInChI=1S/C20H32N2O4/c1-15(2)22(17-7-5-10-21-14-17)20(23)16-8-9-18(25-4)19(13-16)26-12-6-11-24-3/h8-9,13,15,17,21H,5-7,10-12,14H2,1-4H3/t17-/m0/s1
InChIKeyOLTAHIMGVUIXCK-KRWDZBQOSA-N
MW364.49 g/mol
LogP2.71
Rot. Bonds9

About 4-methoxy-3-(3-methoxypropoxy)-N-[(3S)-piperidin-3-yl]-N-propan-2-ylbenzamide

4-methoxy-3-(3-methoxypropoxy)-N-[(3S)-piperidin-3-yl]-N-propan-2-ylbenzamide (PubChem CID 24998743) has the molecular formula C20H32N2O4 and a molecular weight of 364.49 g/mol. Its IUPAC name is 4-methoxy-3-(3-methoxypropoxy)-N-[(3S)-piperidin-3-yl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-methoxy-3-(3-methoxypropoxy)-N-[(3S)-piperidin-3-yl]-N-propan-2-ylbenzamide
PubChem CID24998743
Molecular FormulaC20H32N2O4
Molecular Weight364.49 g/mol
Exact Mass364.24
IUPAC Name4-methoxy-3-(3-methoxypropoxy)-N-[(3S)-piperidin-3-yl]-N-propan-2-ylbenzamide
SMILESCOCCCOc1cc(C(=O)N(C(C)C)[C@H]2CCCNC2)ccc1OC
InChIInChI=1S/C20H32N2O4/c1-15(2)22(17-7-5-10-21-14-17)20(23)16-8-9-18(25-4)19(13-16)26-12-6-11-24-3/h8-9,13,15,17,21H,5-7,10-12,14H2,1-4H3/t17-/m0/s1
InChIKeyOLTAHIMGVUIXCK-KRWDZBQOSA-N
XLogP2.71
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-cyclohexyloxy-3-(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide
CID 59223919
3-(3-methoxypropoxy)-4-phenylmethoxy-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide
CID 59224193
4-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]oxy-3-(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide
CID 24997196
ethane;3-(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 143814335
N-[4-(hydroxymethyl)piperidin-3-yl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide
CID 59224139
4-(3-chloro-2-fluorophenyl)-3-(3-methoxypropoxy)-N-piperidin-3-yl-N-propan-2-ylbenzamide
CID 42634826
4-hydroxy-3-(4-methoxybutyl)-N-piperidin-3-yl-N-propan-2-ylbenzamide
CID 143814264
4-methoxy-3-(3-methoxypropoxy)-N-(4-phenylpiperidin-3-yl)-N-propan-2-ylbenzamide
CID 70910455
4-methoxy-3-(3-methoxypropoxy)-N-[(6S)-6-[2-oxo-2-(propan-2-ylamino)ethyl]piperidin-3-yl]-N-propan-2-ylbenzamide
CID 70954283
N-[6-[2-[cyclopropyl-(2-methoxyacetyl)amino]ethyl]piperidin-3-yl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide
CID 72535005
N-[(3R,6R)-6-[2-[cyclopropyl(3-methoxypropanoyl)amino]ethyl]piperidin-3-yl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide
CID 25001944
4-methoxy-3-(3-methoxypropoxy)-N-[5-(phenoxymethyl)piperidin-3-yl]-N-propan-2-ylbenzamide
CID 70910446

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(3-methoxypropoxy)-N-[(3S)-piperidin-3-yl]-N-propan-2-ylbenzamide?
The IUPAC name of 4-methoxy-3-(3-methoxypropoxy)-N-[(3S)-piperidin-3-yl]-N-propan-2-ylbenzamide (CID 24998743) is 4-methoxy-3-(3-methoxypropoxy)-N-[(3S)-piperidin-3-yl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-methoxy-3-(3-methoxypropoxy)-N-[(3S)-piperidin-3-yl]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-methoxy-3-(3-methoxypropoxy)-N-[(3S)-piperidin-3-yl]-N-propan-2-ylbenzamide is COCCCOc1cc(C(=O)N(C(C)C)[C@H]2CCCNC2)ccc1OC.
What is the InChIKey of 4-methoxy-3-(3-methoxypropoxy)-N-[(3S)-piperidin-3-yl]-N-propan-2-ylbenzamide?
The InChIKey is OLTAHIMGVUIXCK-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H32N2O4/c1-15(2)22(17-7-5-10-21-14-17)20(23)16-8-9-18(25-4)19(13-16)26-12-6-11-24-3/h8-9,13,15,17,21H,5-7,10-12,14H2,1-4H3/t17-/m0/s1.
What are the key properties of 4-methoxy-3-(3-methoxypropoxy)-N-[(3S)-piperidin-3-yl]-N-propan-2-ylbenzamide?
4-methoxy-3-(3-methoxypropoxy)-N-[(3S)-piperidin-3-yl]-N-propan-2-ylbenzamide has a molecular weight of 364.49 g/mol, XLogP of 2.71, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(3-methoxypropoxy)-N-[(3S)-piperidin-3-yl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 24998743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).