N-[1-(2-methoxy-4-pyridinyl)ethyl]-3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide

C24H31N3O4 — CID 166208003

IUPACN-[1-(2-methoxy-4-pyridinyl)ethyl]-3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
SMILESCOc1cc(C(C)NC(=O)c2cc(C)c(OCC(=O)N3CCCCC3)c(C)c2)ccn1
InChIInChI=1S/C24H31N3O4/c1-16-12-20(24(29)26-18(3)19-8-9-25-21(14-19)30-4)13-17(2)23(16)31-15-22(28)27-10-6-5-7-11-27/h8-9,12-14,18H,5-7,10-11,15H2,1-4H3,(H,26,29)
InChIKeyJGEPMIOQEPYZNY-UHFFFAOYSA-N
MW425.53 g/mol
LogP3.59
Rot. Bonds7

About N-[1-(2-methoxy-4-pyridinyl)ethyl]-3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide

N-[1-(2-methoxy-4-pyridinyl)ethyl]-3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide (PubChem CID 166208003) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-[1-(2-methoxy-4-pyridinyl)ethyl]-3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide.

Molecular Properties

Compound NameN-[1-(2-methoxy-4-pyridinyl)ethyl]-3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
PubChem CID166208003
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC NameN-[1-(2-methoxy-4-pyridinyl)ethyl]-3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
SMILESCOc1cc(C(C)NC(=O)c2cc(C)c(OCC(=O)N3CCCCC3)c(C)c2)ccn1
InChIInChI=1S/C24H31N3O4/c1-16-12-20(24(29)26-18(3)19-8-9-25-21(14-19)30-4)13-17(2)23(16)31-15-22(28)27-10-6-5-7-11-27/h8-9,12-14,18H,5-7,10-11,15H2,1-4H3,(H,26,29)
InChIKeyJGEPMIOQEPYZNY-UHFFFAOYSA-N
XLogP3.59
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(2-methoxy-4-pyridinyl)ethyl]-3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide with MolForge

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Related Compounds

2-[[3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]propanoic acid
CID 119349055
N-(2-aminoethyl)-3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide;hydrochloride
CID 119383776
3-ethoxy-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 55653874
2-[[3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-propan-2-ylamino]acetic acid
CID 120580828
N-(5-amino-2-methylphenyl)-3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide;hydrochloride
CID 120569046
2-[(2-methoxy-4-pyridinyl)methylamino]-1-piperidin-1-ylethanone
CID 62990090
2-[2,6-dimethyl-4-[[(1S)-1-pyridin-3-ylethyl]carbamoyl]phenoxy]acetic acid
CID 129398693
3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426701
2-[2,6-dimethyl-4-(piperazine-1-carbonyl)phenoxy]-1-piperidin-1-ylethanone
CID 119401934
2-(2,4,6-trimethylphenoxy)-1-[4-[2-(2,4,6-trimethylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 1281511
2-(2,6-dimethyl-4-pyrrolidin-1-ylphenoxy)-1-pyrrolidin-1-ylethanone
CID 168515037
2-[2,6-dimethyl-4-(piperazine-1-carbonyl)phenoxy]-1-piperidin-1-ylethanone;hydrochloride
CID 119401933

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxy-4-pyridinyl)ethyl]-3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide?
The IUPAC name of N-[1-(2-methoxy-4-pyridinyl)ethyl]-3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide (CID 166208003) is N-[1-(2-methoxy-4-pyridinyl)ethyl]-3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide.
What is the SMILES notation for N-[1-(2-methoxy-4-pyridinyl)ethyl]-3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide?
The canonical SMILES for N-[1-(2-methoxy-4-pyridinyl)ethyl]-3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide is COc1cc(C(C)NC(=O)c2cc(C)c(OCC(=O)N3CCCCC3)c(C)c2)ccn1.
What is the InChIKey of N-[1-(2-methoxy-4-pyridinyl)ethyl]-3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide?
The InChIKey is JGEPMIOQEPYZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-16-12-20(24(29)26-18(3)19-8-9-25-21(14-19)30-4)13-17(2)23(16)31-15-22(28)27-10-6-5-7-11-27/h8-9,12-14,18H,5-7,10-11,15H2,1-4H3,(H,26,29).
What are the key properties of N-[1-(2-methoxy-4-pyridinyl)ethyl]-3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide?
N-[1-(2-methoxy-4-pyridinyl)ethyl]-3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide has a molecular weight of 425.53 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxy-4-pyridinyl)ethyl]-3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide is sourced from PubChem (CID 166208003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).