N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-propoxyphenyl)propanamide

C20H32N2O3 — CID 120891684

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-propoxyphenyl)propanamide
SMILESCCCOc1ccc(CCC(=O)NCC2(COC)CCNCC2)cc1
InChIInChI=1S/C20H32N2O3/c1-3-14-25-18-7-4-17(5-8-18)6-9-19(23)22-15-20(16-24-2)10-12-21-13-11-20/h4-5,7-8,21H,3,6,9-16H2,1-2H3,(H,22,23)
InChIKeyBGYGIEAJZDDQCZ-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.54
Rot. Bonds10

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-propoxyphenyl)propanamide

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-propoxyphenyl)propanamide (PubChem CID 120891684) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-propoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-propoxyphenyl)propanamide
PubChem CID120891684
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-propoxyphenyl)propanamide
SMILESCCCOc1ccc(CCC(=O)NCC2(COC)CCNCC2)cc1
InChIInChI=1S/C20H32N2O3/c1-3-14-25-18-7-4-17(5-8-18)6-9-19(23)22-15-20(16-24-2)10-12-21-13-11-20/h4-5,7-8,21H,3,6,9-16H2,1-2H3,(H,22,23)
InChIKeyBGYGIEAJZDDQCZ-UHFFFAOYSA-N
XLogP2.54
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
CID 120890837
2-(4-hydroxyphenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide
CID 120890491
3-(3-bromophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
CID 120891255
4-(4-ethylphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-oxobutanamide;hydrochloride
CID 120891250
3-(4-propoxyphenyl)-N-[(1-pyridin-2-ylcyclopropyl)methyl]propanamide
CID 86789127
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(1,3-thiazol-2-yl)propanamide;dihydrochloride
CID 120891633
N-[2-(methylamino)ethyl]-3-(4-propoxyphenyl)propanamide
CID 119502671
3-(2-methoxyethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
CID 120888133
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-naphthalen-2-yloxyacetamide;hydrochloride
CID 120890968
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120890024
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 120944783
3-(3,4-dimethylphenyl)-N-[[1-(methoxymethyl)cyclopropyl]methyl]propanamide
CID 122570668

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-propoxyphenyl)propanamide?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-propoxyphenyl)propanamide (CID 120891684) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-propoxyphenyl)propanamide.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-propoxyphenyl)propanamide?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-propoxyphenyl)propanamide is CCCOc1ccc(CCC(=O)NCC2(COC)CCNCC2)cc1.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-propoxyphenyl)propanamide?
The InChIKey is BGYGIEAJZDDQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-3-14-25-18-7-4-17(5-8-18)6-9-19(23)22-15-20(16-24-2)10-12-21-13-11-20/h4-5,7-8,21H,3,6,9-16H2,1-2H3,(H,22,23).
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-propoxyphenyl)propanamide?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-propoxyphenyl)propanamide has a molecular weight of 348.49 g/mol, XLogP of 2.54, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-propoxyphenyl)propanamide is sourced from PubChem (CID 120891684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).