4-methoxy-3-(3-methoxypropoxy)-N-(4-phenylpiperidin-3-yl)-N-propan-2-ylbenzamide

C26H36N2O4 — CID 70910455

IUPAC4-methoxy-3-(3-methoxypropoxy)-N-(4-phenylpiperidin-3-yl)-N-propan-2-ylbenzamide
SMILESCOCCCOc1cc(C(=O)N(C(C)C)C2CNCCC2c2ccccc2)ccc1OC
InChIInChI=1S/C26H36N2O4/c1-19(2)28(23-18-27-14-13-22(23)20-9-6-5-7-10-20)26(29)21-11-12-24(31-4)25(17-21)32-16-8-15-30-3/h5-7,9-12,17,19,22-23,27H,8,13-16,18H2,1-4H3
InChIKeyBXHOQJMVYHXETN-UHFFFAOYSA-N
MW440.58 g/mol
LogP4.11
Rot. Bonds10

About 4-methoxy-3-(3-methoxypropoxy)-N-(4-phenylpiperidin-3-yl)-N-propan-2-ylbenzamide

4-methoxy-3-(3-methoxypropoxy)-N-(4-phenylpiperidin-3-yl)-N-propan-2-ylbenzamide (PubChem CID 70910455) has the molecular formula C26H36N2O4 and a molecular weight of 440.58 g/mol. Its IUPAC name is 4-methoxy-3-(3-methoxypropoxy)-N-(4-phenylpiperidin-3-yl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-methoxy-3-(3-methoxypropoxy)-N-(4-phenylpiperidin-3-yl)-N-propan-2-ylbenzamide
PubChem CID70910455
Molecular FormulaC26H36N2O4
Molecular Weight440.58 g/mol
Exact Mass440.27
IUPAC Name4-methoxy-3-(3-methoxypropoxy)-N-(4-phenylpiperidin-3-yl)-N-propan-2-ylbenzamide
SMILESCOCCCOc1cc(C(=O)N(C(C)C)C2CNCCC2c2ccccc2)ccc1OC
InChIInChI=1S/C26H36N2O4/c1-19(2)28(23-18-27-14-13-22(23)20-9-6-5-7-10-20)26(29)21-11-12-24(31-4)25(17-21)32-16-8-15-30-3/h5-7,9-12,17,19,22-23,27H,8,13-16,18H2,1-4H3
InChIKeyBXHOQJMVYHXETN-UHFFFAOYSA-N
XLogP4.11
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.58
LogP ≤ 54.11
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

N-[4-(hydroxymethyl)piperidin-3-yl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide
CID 59224139
N-ethyl-4-methoxy-3-(3-methoxypropoxy)-N-[(4R)-4-(3-phenylphenyl)piperidin-3-yl]benzamide;hydrochloride
CID 161470422
4-methoxy-3-(3-methoxypropoxy)-N-[(4R)-4-(3-phenylphenyl)piperidin-3-yl]-N-propylbenzamide
CID 59223755
4-methoxy-3-(3-methoxypropoxy)-N-[(3S)-piperidin-3-yl]-N-propan-2-ylbenzamide
CID 24998743
4-methoxy-3-(3-methoxypropoxy)-N-propan-2-yl-N-(pyrrolidin-3-ylmethyl)benzamide;N-methyl-1-phenylmethanamine
CID 143248741
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
3-(3-methoxypropoxy)-4-phenylmethoxy-N-[(3R)-piperidin-3-yl]-N-propan-2-ylbenzamide
CID 59224193
N,N-dimethyl-1-pyrrolidin-3-ylmethanamine;ethylbenzene;4-methoxy-3-(3-methoxypropoxy)-N-methyl-N-propan-2-ylbenzamide
CID 143294968
benzyl N-pyrrolidin-3-ylcarbamate;4-methoxy-3-(3-methoxypropoxy)-N-methyl-N-propan-2-ylbenzamide
CID 143248641
N-[[(3S,4S)-4-[benzylsulfonyl(methyl)amino]pyrrolidin-3-yl]methyl]-4-methoxy-3-(3-methoxypropoxy)-N-propan-2-ylbenzamide
CID 59272020
4-methoxy-3-(3-methoxypropoxy)-N-[[(3S,4R)-4-[[(2-phenylacetyl)-propan-2-ylamino]methyl]pyrrolidin-3-yl]methyl]-N-propan-2-ylbenzamide
CID 90933749

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(3-methoxypropoxy)-N-(4-phenylpiperidin-3-yl)-N-propan-2-ylbenzamide?
The IUPAC name of 4-methoxy-3-(3-methoxypropoxy)-N-(4-phenylpiperidin-3-yl)-N-propan-2-ylbenzamide (CID 70910455) is 4-methoxy-3-(3-methoxypropoxy)-N-(4-phenylpiperidin-3-yl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-methoxy-3-(3-methoxypropoxy)-N-(4-phenylpiperidin-3-yl)-N-propan-2-ylbenzamide?
The canonical SMILES for 4-methoxy-3-(3-methoxypropoxy)-N-(4-phenylpiperidin-3-yl)-N-propan-2-ylbenzamide is COCCCOc1cc(C(=O)N(C(C)C)C2CNCCC2c2ccccc2)ccc1OC.
What is the InChIKey of 4-methoxy-3-(3-methoxypropoxy)-N-(4-phenylpiperidin-3-yl)-N-propan-2-ylbenzamide?
The InChIKey is BXHOQJMVYHXETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O4/c1-19(2)28(23-18-27-14-13-22(23)20-9-6-5-7-10-20)26(29)21-11-12-24(31-4)25(17-21)32-16-8-15-30-3/h5-7,9-12,17,19,22-23,27H,8,13-16,18H2,1-4H3.
What are the key properties of 4-methoxy-3-(3-methoxypropoxy)-N-(4-phenylpiperidin-3-yl)-N-propan-2-ylbenzamide?
4-methoxy-3-(3-methoxypropoxy)-N-(4-phenylpiperidin-3-yl)-N-propan-2-ylbenzamide has a molecular weight of 440.58 g/mol, XLogP of 4.11, 10 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-(4-phenylpiperidin-3-yl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 70910455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).