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

C21H34N2O5 — CID 59224139

IUPACN-[4-(hydroxymethyl)piperidin-3-yl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide
SMILESCOCCCOc1cc(C(=O)N(C(C)C)C2CNCCC2CO)ccc1OC
InChIInChI=1S/C21H34N2O5/c1-15(2)23(18-13-22-9-8-17(18)14-24)21(25)16-6-7-19(27-4)20(12-16)28-11-5-10-26-3/h6-7,12,15,17-18,22,24H,5,8-11,13-14H2,1-4H3
InChIKeyGDHMEMKNZYHWIH-UHFFFAOYSA-N
MW394.51 g/mol
LogP1.93
Rot. Bonds10

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

N-[4-(hydroxymethyl)piperidin-3-yl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide (PubChem CID 59224139) has the molecular formula C21H34N2O5 and a molecular weight of 394.51 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)piperidin-3-yl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)piperidin-3-yl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide
PubChem CID59224139
Molecular FormulaC21H34N2O5
Molecular Weight394.51 g/mol
Exact Mass394.25
IUPAC NameN-[4-(hydroxymethyl)piperidin-3-yl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide
SMILESCOCCCOc1cc(C(=O)N(C(C)C)C2CNCCC2CO)ccc1OC
InChIInChI=1S/C21H34N2O5/c1-15(2)23(18-13-22-9-8-17(18)14-24)21(25)16-6-7-19(27-4)20(12-16)28-11-5-10-26-3/h6-7,12,15,17-18,22,24H,5,8-11,13-14H2,1-4H3
InChIKeyGDHMEMKNZYHWIH-UHFFFAOYSA-N
XLogP1.93
TPSA80.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.51
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-3-(3-methoxypropoxy)-N-(4-phenylpiperidin-3-yl)-N-propan-2-ylbenzamide
CID 70910455
4-methoxy-3-(3-methoxypropoxy)-N-[(3S)-piperidin-3-yl]-N-propan-2-ylbenzamide
CID 24998743
N-[[(3S,4S)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide
CID 11851632
4-cyclohexyloxy-3-(3-methoxypropoxy)-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide
CID 59223919
4-methoxy-3-(3-methoxypropoxy)-N-methyl-N-propan-2-ylbenzamide
CID 59224071
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-methyl-N-propan-2-ylbenzamide;N-propylsulfanylpyrrolidin-3-amine
CID 143248485
3-(3-methoxypropoxy)-4-phenylmethoxy-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide
CID 59224193
4-methoxy-3-(3-methoxypropoxy)-N-[5-(phenoxymethyl)piperidin-3-yl]-N-propan-2-ylbenzamide
CID 70910446
4-methoxy-3-(3-methoxypropoxy)-N-[(5S)-5-(phenoxymethyl)piperidin-3-yl]-N-propan-2-ylbenzamide
CID 59224270
N-[(3R,6R)-6-[2-[cyclopropyl(3-methoxypropanoyl)amino]ethyl]piperidin-3-yl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide;hydrochloride
CID 25001943
N-[[4-[[cyclopropanecarbonyl(methyl)amino]methyl]pyrrolidin-3-yl]methyl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide
CID 68616994

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)piperidin-3-yl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide?
The IUPAC name of N-[4-(hydroxymethyl)piperidin-3-yl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide (CID 59224139) is N-[4-(hydroxymethyl)piperidin-3-yl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide.
What is the SMILES notation for N-[4-(hydroxymethyl)piperidin-3-yl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide?
The canonical SMILES for N-[4-(hydroxymethyl)piperidin-3-yl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide is COCCCOc1cc(C(=O)N(C(C)C)C2CNCCC2CO)ccc1OC.
What is the InChIKey of N-[4-(hydroxymethyl)piperidin-3-yl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide?
The InChIKey is GDHMEMKNZYHWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O5/c1-15(2)23(18-13-22-9-8-17(18)14-24)21(25)16-6-7-19(27-4)20(12-16)28-11-5-10-26-3/h6-7,12,15,17-18,22,24H,5,8-11,13-14H2,1-4H3.
What are the key properties of N-[4-(hydroxymethyl)piperidin-3-yl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide?
N-[4-(hydroxymethyl)piperidin-3-yl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide has a molecular weight of 394.51 g/mol, XLogP of 1.93, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)piperidin-3-yl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide is sourced from PubChem (CID 59224139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).