4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-(pyrimidin-4-ylmethyl)benzamide

C21H28N4O3 — CID 26318397

IUPAC4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-(pyrimidin-4-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)NCc2ccncn2)cc1OC1CCN(C(C)C)CC1
InChIInChI=1S/C21H28N4O3/c1-15(2)25-10-7-18(8-11-25)28-20-12-16(4-5-19(20)27-3)21(26)23-13-17-6-9-22-14-24-17/h4-6,9,12,14-15,18H,7-8,10-11,13H2,1-3H3,(H,23,26)
InChIKeyMXQJHGHFRAQKMC-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.67
Rot. Bonds7

About 4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-(pyrimidin-4-ylmethyl)benzamide

4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-(pyrimidin-4-ylmethyl)benzamide (PubChem CID 26318397) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-(pyrimidin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-(pyrimidin-4-ylmethyl)benzamide
PubChem CID26318397
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-(pyrimidin-4-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)NCc2ccncn2)cc1OC1CCN(C(C)C)CC1
InChIInChI=1S/C21H28N4O3/c1-15(2)25-10-7-18(8-11-25)28-20-12-16(4-5-19(20)27-3)21(26)23-13-17-6-9-22-14-24-17/h4-6,9,12,14-15,18H,7-8,10-11,13H2,1-3H3,(H,23,26)
InChIKeyMXQJHGHFRAQKMC-UHFFFAOYSA-N
XLogP2.67
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-(pyrimidin-4-ylmethyl)benzamide?
The IUPAC name of 4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-(pyrimidin-4-ylmethyl)benzamide (CID 26318397) is 4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-(pyrimidin-4-ylmethyl)benzamide.
What is the SMILES notation for 4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-(pyrimidin-4-ylmethyl)benzamide?
The canonical SMILES for 4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-(pyrimidin-4-ylmethyl)benzamide is COc1ccc(C(=O)NCc2ccncn2)cc1OC1CCN(C(C)C)CC1.
What is the InChIKey of 4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-(pyrimidin-4-ylmethyl)benzamide?
The InChIKey is MXQJHGHFRAQKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-15(2)25-10-7-18(8-11-25)28-20-12-16(4-5-19(20)27-3)21(26)23-13-17-6-9-22-14-24-17/h4-6,9,12,14-15,18H,7-8,10-11,13H2,1-3H3,(H,23,26).
What are the key properties of 4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-(pyrimidin-4-ylmethyl)benzamide?
4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-(pyrimidin-4-ylmethyl)benzamide has a molecular weight of 384.48 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-(pyrimidin-4-ylmethyl)benzamide is sourced from PubChem (CID 26318397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).