N-[(4-methoxyphenyl)methyl]-3-(4-methylpiperidin-1-yl)propanamide

C17H26N2O2 — CID 109014498

IUPACN-[(4-methoxyphenyl)methyl]-3-(4-methylpiperidin-1-yl)propanamide
SMILESCOc1ccc(CNC(=O)CCN2CCC(C)CC2)cc1
InChIInChI=1S/C17H26N2O2/c1-14-7-10-19(11-8-14)12-9-17(20)18-13-15-3-5-16(21-2)6-4-15/h3-6,14H,7-13H2,1-2H3,(H,18,20)
InChIKeyDAIUTYHRQHZXOT-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.43
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-3-(4-methylpiperidin-1-yl)propanamide

N-[(4-methoxyphenyl)methyl]-3-(4-methylpiperidin-1-yl)propanamide (PubChem CID 109014498) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-3-(4-methylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-3-(4-methylpiperidin-1-yl)propanamide
PubChem CID109014498
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[(4-methoxyphenyl)methyl]-3-(4-methylpiperidin-1-yl)propanamide
SMILESCOc1ccc(CNC(=O)CCN2CCC(C)CC2)cc1
InChIInChI=1S/C17H26N2O2/c1-14-7-10-19(11-8-14)12-9-17(20)18-13-15-3-5-16(21-2)6-4-15/h3-6,14H,7-13H2,1-2H3,(H,18,20)
InChIKeyDAIUTYHRQHZXOT-UHFFFAOYSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylpiperidin-1-yl)propanamide
CID 109014538
N-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide;oxalic acid
CID 171154568
methyl 3-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]propanoate
CID 10882206
N-benzyl-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109018803
1-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one;hydrochloride
CID 24761516
N-[(4-methoxyphenyl)methyl]-2-[[N-methyl-C-(4-methylpiperidin-1-yl)carbonimidoyl]amino]acetamide
CID 111210945
N-[(4-methoxyphenyl)methyl]-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide
CID 110838996
N-[(4-methoxyphenyl)methyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 8903596
3-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 91842375
N-[(4-methoxyphenyl)methyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide
CID 8544027
N-carbamoyl-3-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propanamide
CID 47091691
N-(2-amino-4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 16779432

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-3-(4-methylpiperidin-1-yl)propanamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-3-(4-methylpiperidin-1-yl)propanamide (CID 109014498) is N-[(4-methoxyphenyl)methyl]-3-(4-methylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-3-(4-methylpiperidin-1-yl)propanamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-3-(4-methylpiperidin-1-yl)propanamide is COc1ccc(CNC(=O)CCN2CCC(C)CC2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-3-(4-methylpiperidin-1-yl)propanamide?
The InChIKey is DAIUTYHRQHZXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-14-7-10-19(11-8-14)12-9-17(20)18-13-15-3-5-16(21-2)6-4-15/h3-6,14H,7-13H2,1-2H3,(H,18,20).
What are the key properties of N-[(4-methoxyphenyl)methyl]-3-(4-methylpiperidin-1-yl)propanamide?
N-[(4-methoxyphenyl)methyl]-3-(4-methylpiperidin-1-yl)propanamide has a molecular weight of 290.41 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-3-(4-methylpiperidin-1-yl)propanamide is sourced from PubChem (CID 109014498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).