2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propanamide

C16H24N2O2 — CID 47091693

IUPAC2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propanamide
SMILESCOc1ccc(CC2CCN(C(C)C(N)=O)CC2)cc1
InChIInChI=1S/C16H24N2O2/c1-12(16(17)19)18-9-7-14(8-10-18)11-13-3-5-15(20-2)6-4-13/h3-6,12,14H,7-11H2,1-2H3,(H2,17,19)
InChIKeyLVOOECGWVKBTAR-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.82
Rot. Bonds5

About 2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propanamide

2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propanamide (PubChem CID 47091693) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propanamide.

Molecular Properties

Compound Name2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propanamide
PubChem CID47091693
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propanamide
SMILESCOc1ccc(CC2CCN(C(C)C(N)=O)CC2)cc1
InChIInChI=1S/C16H24N2O2/c1-12(16(17)19)18-9-7-14(8-10-18)11-13-3-5-15(20-2)6-4-13/h3-6,12,14H,7-11H2,1-2H3,(H2,17,19)
InChIKeyLVOOECGWVKBTAR-UHFFFAOYSA-N
XLogP1.82
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]propanamide
CID 94797572
(2S)-2-(4-benzylpiperidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 9430598
1-hydroxy-4-[(4-methoxyphenyl)methyl]piperidine
CID 122445485
2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propanamide
CID 47053789
[(2S)-1-amino-1-oxopropan-2-yl] (2R)-2-(4-benzylpiperidin-1-yl)propanoate
CID 95309429
2-amino-1-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-3-methylpentan-1-one;hydrochloride
CID 119765862
N-carbamoyl-3-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propanamide
CID 47091691
1-(cyclopropylmethyl)-4-methoxybenzene
CID 6422476
[2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-2-oxoethyl] acetate
CID 46086832
(2S)-2-amino-1-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-3,3-dimethylbutan-1-one;hydrochloride
CID 119765846
2-[4-(hydroxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-one
CID 62024780
2-(4-benzylpiperidin-1-yl)propanoic acid
CID 20986530

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propanamide?
The IUPAC name of 2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propanamide (CID 47091693) is 2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propanamide.
What is the SMILES notation for 2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propanamide?
The canonical SMILES for 2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propanamide is COc1ccc(CC2CCN(C(C)C(N)=O)CC2)cc1.
What is the InChIKey of 2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propanamide?
The InChIKey is LVOOECGWVKBTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(16(17)19)18-9-7-14(8-10-18)11-13-3-5-15(20-2)6-4-13/h3-6,12,14H,7-11H2,1-2H3,(H2,17,19).
What are the key properties of 2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propanamide?
2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propanamide has a molecular weight of 276.38 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propanamide is sourced from PubChem (CID 47091693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).