4-(3,5-dimethoxyphenyl)-N-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)phenyl]piperazine-1-carboxamide

C28H40N4O4 — CID 10163775

IUPAC4-(3,5-dimethoxyphenyl)-N-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)phenyl]piperazine-1-carboxamide
SMILESCOc1cc(OC)cc(N2CCN(C(=O)Nc3ccc(OC)c(C4CCN(C(C)C)CC4)c3)CC2)c1
InChIInChI=1S/C28H40N4O4/c1-20(2)30-10-8-21(9-11-30)26-16-22(6-7-27(26)36-5)29-28(33)32-14-12-31(13-15-32)23-17-24(34-3)19-25(18-23)35-4/h6-7,16-21H,8-15H2,1-5H3,(H,29,33)
InChIKeyMNBOJLIJRJMONR-UHFFFAOYSA-N
MW496.65 g/mol
LogP4.65
Rot. Bonds7

About 4-(3,5-dimethoxyphenyl)-N-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)phenyl]piperazine-1-carboxamide

4-(3,5-dimethoxyphenyl)-N-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)phenyl]piperazine-1-carboxamide (PubChem CID 10163775) has the molecular formula C28H40N4O4 and a molecular weight of 496.65 g/mol. Its IUPAC name is 4-(3,5-dimethoxyphenyl)-N-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3,5-dimethoxyphenyl)-N-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)phenyl]piperazine-1-carboxamide
PubChem CID10163775
Molecular FormulaC28H40N4O4
Molecular Weight496.65 g/mol
Exact Mass496.30
IUPAC Name4-(3,5-dimethoxyphenyl)-N-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)phenyl]piperazine-1-carboxamide
SMILESCOc1cc(OC)cc(N2CCN(C(=O)Nc3ccc(OC)c(C4CCN(C(C)C)CC4)c3)CC2)c1
InChIInChI=1S/C28H40N4O4/c1-20(2)30-10-8-21(9-11-30)26-16-22(6-7-27(26)36-5)29-28(33)32-14-12-31(13-15-32)23-17-24(34-3)19-25(18-23)35-4/h6-7,16-21H,8-15H2,1-5H3,(H,29,33)
InChIKeyMNBOJLIJRJMONR-UHFFFAOYSA-N
XLogP4.65
TPSA66.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.65
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethoxyphenyl)-N-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(3,5-dimethoxyphenyl)-N-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)phenyl]piperazine-1-carboxamide (CID 10163775) is 4-(3,5-dimethoxyphenyl)-N-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3,5-dimethoxyphenyl)-N-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3,5-dimethoxyphenyl)-N-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)phenyl]piperazine-1-carboxamide is COc1cc(OC)cc(N2CCN(C(=O)Nc3ccc(OC)c(C4CCN(C(C)C)CC4)c3)CC2)c1.
What is the InChIKey of 4-(3,5-dimethoxyphenyl)-N-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)phenyl]piperazine-1-carboxamide?
The InChIKey is MNBOJLIJRJMONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N4O4/c1-20(2)30-10-8-21(9-11-30)26-16-22(6-7-27(26)36-5)29-28(33)32-14-12-31(13-15-32)23-17-24(34-3)19-25(18-23)35-4/h6-7,16-21H,8-15H2,1-5H3,(H,29,33).
What are the key properties of 4-(3,5-dimethoxyphenyl)-N-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)phenyl]piperazine-1-carboxamide?
4-(3,5-dimethoxyphenyl)-N-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)phenyl]piperazine-1-carboxamide has a molecular weight of 496.65 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethoxyphenyl)-N-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 10163775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).