N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide

C24H36N4O3 — CID 42415086

IUPACN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
SMILESCCn1nc(C)c(CNC(=O)c2ccc(OC)c(OC3CCN(C(C)C)CC3)c2)c1C
InChIInChI=1S/C24H36N4O3/c1-7-28-18(5)21(17(4)26-28)15-25-24(29)19-8-9-22(30-6)23(14-19)31-20-10-12-27(13-11-20)16(2)3/h8-9,14,16,20H,7,10-13,15H2,1-6H3,(H,25,29)
InChIKeyKLEAARUETMFQIW-UHFFFAOYSA-N
MW428.58 g/mol
LogP3.71
Rot. Bonds8

About N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide (PubChem CID 42415086) has the molecular formula C24H36N4O3 and a molecular weight of 428.58 g/mol. Its IUPAC name is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide.

Molecular Properties

Compound NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
PubChem CID42415086
Molecular FormulaC24H36N4O3
Molecular Weight428.58 g/mol
Exact Mass428.28
IUPAC NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
SMILESCCn1nc(C)c(CNC(=O)c2ccc(OC)c(OC3CCN(C(C)C)CC3)c2)c1C
InChIInChI=1S/C24H36N4O3/c1-7-28-18(5)21(17(4)26-28)15-25-24(29)19-8-9-22(30-6)23(14-19)31-20-10-12-27(13-11-20)16(2)3/h8-9,14,16,20H,7,10-13,15H2,1-6H3,(H,25,29)
InChIKeyKLEAARUETMFQIW-UHFFFAOYSA-N
XLogP3.71
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
The IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide (CID 42415086) is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide.
What is the SMILES notation for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
The canonical SMILES for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide is CCn1nc(C)c(CNC(=O)c2ccc(OC)c(OC3CCN(C(C)C)CC3)c2)c1C.
What is the InChIKey of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
The InChIKey is KLEAARUETMFQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O3/c1-7-28-18(5)21(17(4)26-28)15-25-24(29)19-8-9-22(30-6)23(14-19)31-20-10-12-27(13-11-20)16(2)3/h8-9,14,16,20H,7,10-13,15H2,1-6H3,(H,25,29).
What are the key properties of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide has a molecular weight of 428.58 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide is sourced from PubChem (CID 42415086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).