3-(4-methoxyphenyl)-N-[(4-methylpiperidin-3-yl)methyl]propanamide

C17H26N2O2 — CID 114955725

IUPAC3-(4-methoxyphenyl)-N-[(4-methylpiperidin-3-yl)methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCC2CNCCC2C)cc1
InChIInChI=1S/C17H26N2O2/c1-13-9-10-18-11-15(13)12-19-17(20)8-5-14-3-6-16(21-2)7-4-14/h3-4,6-7,13,15,18H,5,8-12H2,1-2H3,(H,19,20)
InChIKeyHHRKSCBCCXIOJW-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.99
Rot. Bonds6

About 3-(4-methoxyphenyl)-N-[(4-methylpiperidin-3-yl)methyl]propanamide

3-(4-methoxyphenyl)-N-[(4-methylpiperidin-3-yl)methyl]propanamide (PubChem CID 114955725) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[(4-methylpiperidin-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[(4-methylpiperidin-3-yl)methyl]propanamide
PubChem CID114955725
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-(4-methoxyphenyl)-N-[(4-methylpiperidin-3-yl)methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCC2CNCCC2C)cc1
InChIInChI=1S/C17H26N2O2/c1-13-9-10-18-11-15(13)12-19-17(20)8-5-14-3-6-16(21-2)7-4-14/h3-4,6-7,13,15,18H,5,8-12H2,1-2H3,(H,19,20)
InChIKeyHHRKSCBCCXIOJW-UHFFFAOYSA-N
XLogP1.99
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenyl)-N-(2-piperidin-4-ylethyl)propanamide
CID 60902718
4-methoxy-N-[(4-methylpiperidin-3-yl)methyl]butanamide
CID 114955807
2-hydroxy-5-methoxy-N-[(4-methylpiperidin-3-yl)methyl]benzamide
CID 114955702
3-(4-methoxyphenyl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119388852
N-[(4-bromocyclohexyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 106134334
N-[(4-methylpiperidin-3-yl)methyl]propanamide
CID 114955720
N-[(4-methylpiperidin-3-yl)methyl]-3-propoxypropanamide
CID 114955778
4-(4-methoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119449629
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 120944783
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
1-(4-methoxyphenyl)-5-pyrrolidin-3-ylpentan-3-one
CID 116605893
3-(4-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylpropanamide
CID 60806501

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[(4-methylpiperidin-3-yl)methyl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[(4-methylpiperidin-3-yl)methyl]propanamide (CID 114955725) is 3-(4-methoxyphenyl)-N-[(4-methylpiperidin-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[(4-methylpiperidin-3-yl)methyl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[(4-methylpiperidin-3-yl)methyl]propanamide is COc1ccc(CCC(=O)NCC2CNCCC2C)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[(4-methylpiperidin-3-yl)methyl]propanamide?
The InChIKey is HHRKSCBCCXIOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13-9-10-18-11-15(13)12-19-17(20)8-5-14-3-6-16(21-2)7-4-14/h3-4,6-7,13,15,18H,5,8-12H2,1-2H3,(H,19,20).
What are the key properties of 3-(4-methoxyphenyl)-N-[(4-methylpiperidin-3-yl)methyl]propanamide?
3-(4-methoxyphenyl)-N-[(4-methylpiperidin-3-yl)methyl]propanamide has a molecular weight of 290.41 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[(4-methylpiperidin-3-yl)methyl]propanamide is sourced from PubChem (CID 114955725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).