N-[1-(4-methoxyphenyl)ethyl]-4-piperidin-1-ylbenzamide

C21H26N2O2 — CID 43910482

IUPACN-[1-(4-methoxyphenyl)ethyl]-4-piperidin-1-ylbenzamide
SMILESCOc1ccc(C(C)NC(=O)c2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C21H26N2O2/c1-16(17-8-12-20(25-2)13-9-17)22-21(24)18-6-10-19(11-7-18)23-14-4-3-5-15-23/h6-13,16H,3-5,14-15H2,1-2H3,(H,22,24)
InChIKeyUNDKOSUFDZGJRK-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.18
Rot. Bonds5

About N-[1-(4-methoxyphenyl)ethyl]-4-piperidin-1-ylbenzamide

N-[1-(4-methoxyphenyl)ethyl]-4-piperidin-1-ylbenzamide (PubChem CID 43910482) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)ethyl]-4-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)ethyl]-4-piperidin-1-ylbenzamide
PubChem CID43910482
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[1-(4-methoxyphenyl)ethyl]-4-piperidin-1-ylbenzamide
SMILESCOc1ccc(C(C)NC(=O)c2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C21H26N2O2/c1-16(17-8-12-20(25-2)13-9-17)22-21(24)18-6-10-19(11-7-18)23-14-4-3-5-15-23/h6-13,16H,3-5,14-15H2,1-2H3,(H,22,24)
InChIKeyUNDKOSUFDZGJRK-UHFFFAOYSA-N
XLogP4.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylbenzamide
CID 92674988
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-piperidin-1-ylbenzamide
CID 28636051
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
N-[1-(4-methoxyphenyl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 53281706
N-[1-(4-methoxyphenyl)ethyl]-2-piperidin-1-ylpyridine-4-carboxamide
CID 84573352
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzamide
CID 109043150
N-[1-(4-methoxyphenyl)ethyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 43909251
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 93487370
N-hydroxy-4-[(1R)-1-[(4-methoxybenzoyl)amino]ethyl]benzamide
CID 58417539
(Z)-2-cyano-N-[1-(4-methoxyphenyl)ethyl]-3-(4-piperidin-1-ylanilino)prop-2-enamide
CID 108847489
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 81364308
N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide
CID 17406706

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-4-piperidin-1-ylbenzamide?
The IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-4-piperidin-1-ylbenzamide (CID 43910482) is N-[1-(4-methoxyphenyl)ethyl]-4-piperidin-1-ylbenzamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)ethyl]-4-piperidin-1-ylbenzamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)ethyl]-4-piperidin-1-ylbenzamide is COc1ccc(C(C)NC(=O)c2ccc(N3CCCCC3)cc2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)ethyl]-4-piperidin-1-ylbenzamide?
The InChIKey is UNDKOSUFDZGJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16(17-8-12-20(25-2)13-9-17)22-21(24)18-6-10-19(11-7-18)23-14-4-3-5-15-23/h6-13,16H,3-5,14-15H2,1-2H3,(H,22,24).
What are the key properties of N-[1-(4-methoxyphenyl)ethyl]-4-piperidin-1-ylbenzamide?
N-[1-(4-methoxyphenyl)ethyl]-4-piperidin-1-ylbenzamide has a molecular weight of 338.45 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)ethyl]-4-piperidin-1-ylbenzamide is sourced from PubChem (CID 43910482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).